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

C14H22N6 — CID 106041509

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCc2cnn(C)c2C)n1
InChIInChI=1S/C14H22N6/c1-5-6-15-14-18-10(2)7-13(19-14)16-8-12-9-17-20(4)11(12)3/h7,9H,5-6,8H2,1-4H3,(H2,15,16,18,19)
InChIKeyOSUADJXMWSTTEI-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.26
Rot. Bonds6

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

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 106041509) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID106041509
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCc2cnn(C)c2C)n1
InChIInChI=1S/C14H22N6/c1-5-6-15-14-18-10(2)7-13(19-14)16-8-12-9-17-20(4)11(12)3/h7,9H,5-6,8H2,1-4H3,(H2,15,16,18,19)
InChIKeyOSUADJXMWSTTEI-UHFFFAOYSA-N
XLogP2.26
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106041164
4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818999
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80853005
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 114139889
2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 133405510
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114139877
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106304559
6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine
CID 117092491
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626352
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine
CID 113340081

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 106041509) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCc2cnn(C)c2C)n1.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is OSUADJXMWSTTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-5-6-15-14-18-10(2)7-13(19-14)16-8-12-9-17-20(4)11(12)3/h7,9H,5-6,8H2,1-4H3,(H2,15,16,18,19).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 106041509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).