4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine

C13H17ClN6 — CID 22540285

IUPAC4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCC(C)(C)Nc1ncnc(Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C13H17ClN6/c1-13(2,3)20-12-10(15)11(17-7-18-12)19-9-5-4-8(14)6-16-9/h4-7H,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyLRKJVMGOEPWKOT-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.06
Rot. Bonds3

About 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine

4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 22540285) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID22540285
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCC(C)(C)Nc1ncnc(Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C13H17ClN6/c1-13(2,3)20-12-10(15)11(17-7-18-12)19-9-5-4-8(14)6-16-9/h4-7H,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyLRKJVMGOEPWKOT-UHFFFAOYSA-N
XLogP3.06
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23478729
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968
4-N-(5-chloro-2-pyridinyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142392
4-N-(5-chloro-2-pyridinyl)-6-N-(4-iodophenyl)pyrimidine-4,5,6-triamine
CID 19147083
6-N-(5-chloro-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144597
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19147076
4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138037
6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140961
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
4-N-(5-chloro-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19147182

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 22540285) is 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine is CC(C)(C)Nc1ncnc(Nc2ccc(Cl)cn2)c1N.
What is the InChIKey of 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is LRKJVMGOEPWKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-13(2,3)20-12-10(15)11(17-7-18-12)19-9-5-4-8(14)6-16-9/h4-7H,15H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine?
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 292.77 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).