N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine

C9H11N5O — CID 114600639

IUPACN-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NCc2ncc[nH]2)nc1
InChIInChI=1S/C9H11N5O/c1-15-7-4-12-9(13-5-7)14-6-8-10-2-3-11-8/h2-5H,6H2,1H3,(H,10,11)(H,12,13,14)
InChIKeyBMTDTJPROLOKDV-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.82
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine

N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine (PubChem CID 114600639) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine
PubChem CID114600639
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NCc2ncc[nH]2)nc1
InChIInChI=1S/C9H11N5O/c1-15-7-4-12-9(13-5-7)14-6-8-10-2-3-11-8/h2-5H,6H2,1H3,(H,10,11)(H,12,13,14)
InChIKeyBMTDTJPROLOKDV-UHFFFAOYSA-N
XLogP0.82
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 106997790
N-(1H-imidazol-2-ylmethyl)-2,4-dimethoxyaniline
CID 54976157
1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63001959
N-(1H-imidazol-2-ylmethyl)-5-nitropyrimidin-2-amine
CID 64530901
N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 119126131
N-(1H-imidazol-2-ylmethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327904
N-(1H-imidazol-2-ylmethyl)-4-methoxy-2-nitroaniline
CID 54976268
1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 112748930
N-(1H-imidazol-2-ylmethyl)-5-methylpyridin-2-amine
CID 64532478
N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 64531008
1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine
CID 82711516
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine (CID 114600639) is N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine is COc1cnc(NCc2ncc[nH]2)nc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine?
The InChIKey is BMTDTJPROLOKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-15-7-4-12-9(13-5-7)14-6-8-10-2-3-11-8/h2-5H,6H2,1H3,(H,10,11)(H,12,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine?
N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine has a molecular weight of 205.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 114600639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).