6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine

C14H21N7O2S — CID 70773622

IUPAC6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)nc(N)n1
InChIInChI=1S/C14H21N7O2S/c1-10-6-13(18-14(15)17-10)16-8-11-7-12-9-20(24(2,22)23)4-3-5-21(12)19-11/h6-7H,3-5,8-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyGVYURTNFHCESRF-UHFFFAOYSA-N
MW351.44 g/mol
LogP0.34
Rot. Bonds4

About 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine

6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 70773622) has the molecular formula C14H21N7O2S and a molecular weight of 351.44 g/mol. Its IUPAC name is 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID70773622
Molecular FormulaC14H21N7O2S
Molecular Weight351.44 g/mol
Exact Mass351.15
IUPAC Name6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)nc(N)n1
InChIInChI=1S/C14H21N7O2S/c1-10-6-13(18-14(15)17-10)16-8-11-7-12-9-20(24(2,22)23)4-3-5-21(12)19-11/h6-7H,3-5,8-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyGVYURTNFHCESRF-UHFFFAOYSA-N
XLogP0.34
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazine-2-carboxamide
CID 70739116
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 70746938
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
CID 70781221
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727
(2S)-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide
CID 96573352
5-ethyl-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 70773139
4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 70747548
4-ethyl-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]thiadiazole-5-carboxamide
CID 72839629
(2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125160134
N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 118776980
5-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]thiophene-3-carboxamide
CID 122569401
2-ethyl-4-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 122563446

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine (CID 70773622) is 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GVYURTNFHCESRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2S/c1-10-6-13(18-14(15)17-10)16-8-11-7-12-9-20(24(2,22)23)4-3-5-21(12)19-11/h6-7H,3-5,8-9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 351.44 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 70773622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).