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

C15H23N7 — CID 50950741

IUPAC6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc2n(n1)CCCN(c1cc(NC(C)C)nc(N)n1)C2
InChIInChI=1S/C15H23N7/c1-10(2)17-13-8-14(19-15(16)18-13)21-5-4-6-22-12(9-21)7-11(3)20-22/h7-8,10H,4-6,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyXHYWLIIVZGYTAF-UHFFFAOYSA-N
MW301.40 g/mol
LogP1.79
Rot. Bonds3

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

6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 50950741) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID50950741
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc2n(n1)CCCN(c1cc(NC(C)C)nc(N)n1)C2
InChIInChI=1S/C15H23N7/c1-10(2)17-13-8-14(19-15(16)18-13)21-5-4-6-22-12(9-21)7-11(3)20-22/h7-8,10H,4-6,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyXHYWLIIVZGYTAF-UHFFFAOYSA-N
XLogP1.79
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-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

6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54585780
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 91475339
6-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 67156354
6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 58940612
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887789
6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 56743493
6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 24746164
4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 130324603
4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80932163
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
[5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91774026
5-(3,6-dimethylpyrazin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 146148936

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 50950741) is 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc2n(n1)CCCN(c1cc(NC(C)C)nc(N)n1)C2.
What is the InChIKey of 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is XHYWLIIVZGYTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-10(2)17-13-8-14(19-15(16)18-13)21-5-4-6-22-12(9-21)7-11(3)20-22/h7-8,10H,4-6,9H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 301.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 50950741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).