6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine

C13H18N6 — CID 115266355

IUPAC6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)N)cc(Nc2ccncc2)n1
InChIInChI=1S/C13H18N6/c1-9(14)8-16-12-7-13(18-10(2)17-12)19-11-3-5-15-6-4-11/h3-7,9H,8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyHKLATVAUOJWTKL-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.68
Rot. Bonds5

About 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine

6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine (PubChem CID 115266355) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
PubChem CID115266355
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)N)cc(Nc2ccncc2)n1
InChIInChI=1S/C13H18N6/c1-9(14)8-16-12-7-13(18-10(2)17-12)19-11-3-5-15-6-4-11/h3-7,9H,8,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyHKLATVAUOJWTKL-UHFFFAOYSA-N
XLogP1.68
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873618
4-N-(azetidin-3-yl)-2-methyl-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115266465
methyl 4-[[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112873631
4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 99980348
6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 115266358
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873604
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
4-N-(3-chloro-4-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868147
4-[[2-methyl-6-(3-methylbutylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112876232
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112867947

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine (CID 115266355) is 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine is Cc1nc(NCC(C)N)cc(Nc2ccncc2)n1.
What is the InChIKey of 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
The InChIKey is HKLATVAUOJWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9(14)8-16-12-7-13(18-10(2)17-12)19-11-3-5-15-6-4-11/h3-7,9H,8,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine?
6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine has a molecular weight of 258.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115266355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).