4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine

C14H23N7 — CID 72877213

IUPAC4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCn1cnnc1CN(C)c1cc(C(C)C)nc(N)n1
InChIInChI=1S/C14H23N7/c1-5-6-21-9-16-19-13(21)8-20(4)12-7-11(10(2)3)17-14(15)18-12/h7,9-10H,5-6,8H2,1-4H3,(H2,15,17,18)
InChIKeyHZEOWOLDZRENRX-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.82
Rot. Bonds6

About 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine

4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 72877213) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID72877213
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCn1cnnc1CN(C)c1cc(C(C)C)nc(N)n1
InChIInChI=1S/C14H23N7/c1-5-6-21-9-16-19-13(21)8-20(4)12-7-11(10(2)3)17-14(15)18-12/h7,9-10H,5-6,8H2,1-4H3,(H2,15,17,18)
InChIKeyHZEOWOLDZRENRX-UHFFFAOYSA-N
XLogP1.82
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-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

Jnj-39758979
CID 24994634
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
5-isopropyl-N,2-dimethyl-N-[(1-methyl-2-pyrrolidinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889089
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 73439395
3-(1,1-Dimethylethyl)-1-(2-pyrimidinyl)-1H-pyrazol-5-amine
CID 43531915
2-(Propan-2-yl)pyrazolo(1,5-a)pyrimidine
CID 59747998
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50975930
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50981973
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 56707674
4-cyclopentyl-N-methyl-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
CID 56872011
4-cyclopentyl-N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine
CID 56878036

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 72877213) is 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is CCCn1cnnc1CN(C)c1cc(C(C)C)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HZEOWOLDZRENRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-5-6-21-9-16-19-13(21)8-20(4)12-7-11(10(2)3)17-14(15)18-12/h7,9-10H,5-6,8H2,1-4H3,(H2,15,17,18).
What are the key properties of 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-propan-2-yl-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72877213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).