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

C14H19N5 — CID 80777163

IUPAC2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2ccccn2)nc(C)n1
InChIInChI=1S/C14H19N5/c1-3-7-16-13-9-14(19-11(2)18-13)17-10-12-6-4-5-8-15-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,16,17,18,19)
InChIKeySWMSFUSGQRGAMO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds6

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

2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80777163) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80777163
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2ccccn2)nc(C)n1
InChIInChI=1S/C14H19N5/c1-3-7-16-13-9-14(19-11(2)18-13)17-10-12-6-4-5-8-15-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,16,17,18,19)
InChIKeySWMSFUSGQRGAMO-UHFFFAOYSA-N
XLogP2.61
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80777060
6-N-(2-methoxyethyl)-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869473
2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870532
2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822100
2-methyl-4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873254
4-N-(2,6-dichlorophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873352
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873291
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869351
4-N-(3-bromophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873333
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 80777163) is 2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is CCCNc1cc(NCc2ccccn2)nc(C)n1.
What is the InChIKey of 2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is SWMSFUSGQRGAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-7-16-13-9-14(19-11(2)18-13)17-10-12-6-4-5-8-15-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80777163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).