2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine

C10H12N6 — CID 116795587

IUPAC2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nccc(CNc2nccc(N)n2)n1
InChIInChI=1S/C10H12N6/c1-7-12-4-2-8(15-7)6-14-10-13-5-3-9(11)16-10/h2-5H,6H2,1H3,(H3,11,13,14,16)
InChIKeyKJVHAXXFGQKHHA-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.77
Rot. Bonds3

About 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine

2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 116795587) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID116795587
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nccc(CNc2nccc(N)n2)n1
InChIInChI=1S/C10H12N6/c1-7-12-4-2-8(15-7)6-14-10-13-5-3-9(11)16-10/h2-5H,6H2,1H3,(H3,11,13,14,16)
InChIKeyKJVHAXXFGQKHHA-UHFFFAOYSA-N
XLogP0.77
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
CID 81133270
5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359219
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
3-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 115550367
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80813252
3,4-difluoro-2-N-[(2-methylpyrimidin-4-yl)methyl]benzene-1,2-diamine
CID 62533698
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
5-bromo-4-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3,4-diamine
CID 103517973
6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80813733

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine (CID 116795587) is 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine is Cc1nccc(CNc2nccc(N)n2)n1.
What is the InChIKey of 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KJVHAXXFGQKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-7-12-4-2-8(15-7)6-14-10-13-5-3-9(11)16-10/h2-5H,6H2,1H3,(H3,11,13,14,16).
What are the key properties of 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine?
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 216.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116795587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).