4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

C10H12N6 — CID 19137200

IUPAC4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(N)c2N)nc1
InChIInChI=1S/C10H12N6/c1-6-2-3-7(13-4-6)16-10-8(11)9(12)14-5-15-10/h2-5H,11H2,1H3,(H3,12,13,14,15,16)
InChIKeyBKGKXKSRQJFDHM-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.09
Rot. Bonds2

About 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 19137200) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID19137200
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(N)c2N)nc1
InChIInChI=1S/C10H12N6/c1-6-2-3-7(13-4-6)16-10-8(11)9(12)14-5-15-10/h2-5H,11H2,1H3,(H3,12,13,14,15,16)
InChIKeyBKGKXKSRQJFDHM-UHFFFAOYSA-N
XLogP1.09
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137129
4-N-(5-methyl-2-pyridinyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145493
6-(2,2-diphenylhydrazinyl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19146654
4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144951
4-N,4-N-bis(2-methoxyethyl)-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19141684
4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22539657
6-(2-ethylpiperidin-1-yl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19140543
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19153457
6-hydrazinyl-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 22534751
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
1-N,4-N-bis(5-methyl-2-pyridinyl)phthalazine-1,4-diamine
CID 6413750

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 19137200) is 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(N)c2N)nc1.
What is the InChIKey of 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is BKGKXKSRQJFDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-6-2-3-7(13-4-6)16-10-8(11)9(12)14-5-15-10/h2-5H,11H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 216.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19137200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).