6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

C15H21N5 — CID 80945511

IUPAC6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NCCc2ccccn2)n1
InChIInChI=1S/C15H21N5/c1-3-6-13-19-14(16-2)11-15(20-13)18-10-8-12-7-4-5-9-17-12/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H2,16,18,19,20)
InChIKeyJJIBCTXRMVLLFQ-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.52
Rot. Bonds7

About 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80945511) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80945511
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NCCc2ccccn2)n1
InChIInChI=1S/C15H21N5/c1-3-6-13-19-14(16-2)11-15(20-13)18-10-8-12-7-4-5-9-17-12/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H2,16,18,19,20)
InChIKeyJJIBCTXRMVLLFQ-UHFFFAOYSA-N
XLogP2.52
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80938770
6-N-methyl-2-methylsulfanyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80765777
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80946582
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80950114
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
2-chloro-4-N-ethyl-4-N-methyl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 143437660
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (CID 80945511) is 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is CCCc1nc(NC)cc(NCCc2ccccn2)n1.
What is the InChIKey of 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is JJIBCTXRMVLLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-6-13-19-14(16-2)11-15(20-13)18-10-8-12-7-4-5-9-17-12/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80945511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).