4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine

C14H22N6 — CID 80986185

IUPAC4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C14H22N6/c1-5-6-12-17-13(15)10(2)14(18-12)19(3)8-11-7-16-20(4)9-11/h7,9H,5-6,8H2,1-4H3,(H2,15,17,18)
InChIKeyTWKWAFHHODJSKI-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.69
Rot. Bonds5

About 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine

4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80986185) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80986185
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C14H22N6/c1-5-6-12-17-13(15)10(2)14(18-12)19(3)8-11-7-16-20(4)9-11/h7,9H,5-6,8H2,1-4H3,(H2,15,17,18)
InChIKeyTWKWAFHHODJSKI-UHFFFAOYSA-N
XLogP1.69
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80982724
4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986668
4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80779198
6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 75510113
4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80991832
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79827181
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994071
3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79532541
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630281
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80983288

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80986185) is 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(N(C)Cc2cnn(C)c2)n1.
What is the InChIKey of 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is TWKWAFHHODJSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-5-6-12-17-13(15)10(2)14(18-12)19(3)8-11-7-16-20(4)9-11/h7,9H,5-6,8H2,1-4H3,(H2,15,17,18).
What are the key properties of 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).