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

C11H14ClN5 — CID 59728203

IUPAC4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1nccc(Cl)n1
InChIInChI=1S/C11H14ClN5/c1-8(2)17(6-9-5-13-7-15-9)11-14-4-3-10(12)16-11/h3-5,7-8H,6H2,1-2H3,(H,13,15)
InChIKeyARRGJKBMQMDSEB-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.27
Rot. Bonds4

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

4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 59728203) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID59728203
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1nccc(Cl)n1
InChIInChI=1S/C11H14ClN5/c1-8(2)17(6-9-5-13-7-15-9)11-14-4-3-10(12)16-11/h3-5,7-8H,6H2,1-2H3,(H,13,15)
InChIKeyARRGJKBMQMDSEB-UHFFFAOYSA-N
XLogP2.27
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine (CID 59728203) is 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine is CC(C)N(Cc1cnc[nH]1)c1nccc(Cl)n1.
What is the InChIKey of 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is ARRGJKBMQMDSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-8(2)17(6-9-5-13-7-15-9)11-14-4-3-10(12)16-11/h3-5,7-8H,6H2,1-2H3,(H,13,15).
What are the key properties of 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 59728203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).