N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine

C9H11N5 — CID 106564209

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine
SMILESCc1nccc(CNc2ncc[nH]2)n1
InChIInChI=1S/C9H11N5/c1-7-10-3-2-8(14-7)6-13-9-11-4-5-12-9/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyLJKJZWWKGKPFBN-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.12
Rot. Bonds3

About N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine

N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine (PubChem CID 106564209) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine
PubChem CID106564209
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine
SMILESCc1nccc(CNc2ncc[nH]2)n1
InChIInChI=1S/C9H11N5/c1-7-10-3-2-8(14-7)6-13-9-11-4-5-12-9/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyLJKJZWWKGKPFBN-UHFFFAOYSA-N
XLogP1.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine
CID 106572943
2,3,5,6-tetrafluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 107644035
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659595
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
N-benzyl-1H-imidazol-2-amine
CID 12847936
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine
CID 82237575
6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 61224152
6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
CID 81133270

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine (CID 106564209) is N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine is Cc1nccc(CNc2ncc[nH]2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine?
The InChIKey is LJKJZWWKGKPFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-10-3-2-8(14-7)6-13-9-11-4-5-12-9/h2-5H,6H2,1H3,(H2,11,12,13).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine?
N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine has a molecular weight of 189.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 106564209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).