5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine

C8H8ClN5 — CID 105369457

IUPAC5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
SMILESClc1cncnc1NCc1ncc[nH]1
InChIInChI=1S/C8H8ClN5/c9-6-3-10-5-14-8(6)13-4-7-11-1-2-12-7/h1-3,5H,4H2,(H,11,12)(H,10,13,14)
InChIKeyJXWGIDGNGNFTNH-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.47
Rot. Bonds3

About 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine

5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 105369457) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID105369457
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
SMILESClc1cncnc1NCc1ncc[nH]1
InChIInChI=1S/C8H8ClN5/c9-6-3-10-5-14-8(6)13-4-7-11-1-2-12-7/h1-3,5H,4H2,(H,11,12)(H,10,13,14)
InChIKeyJXWGIDGNGNFTNH-UHFFFAOYSA-N
XLogP1.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 64531503
5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
CID 146105482
3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 114835941
6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 106195237
N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
CID 105368920
2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83076307
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
2-chloro-N-(1H-imidazol-2-ylmethyl)-5-nitropyrimidin-4-amine
CID 106195263
N-(1H-imidazol-2-ylmethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327904
2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83081720

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine (CID 105369457) is 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine is Clc1cncnc1NCc1ncc[nH]1.
What is the InChIKey of 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is JXWGIDGNGNFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-6-3-10-5-14-8(6)13-4-7-11-1-2-12-7/h1-3,5H,4H2,(H,11,12)(H,10,13,14).
What are the key properties of 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine?
5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 209.64 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 105369457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).