6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine

C17H20ClN3 — CID 115914744

IUPAC6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)N(CC1CC1)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C17H20ClN3/c1-12(2)21(11-13-8-9-13)16-10-15(18)19-17(20-16)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3
InChIKeyCXLMZUVMJVPIOS-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.42
Rot. Bonds5

About 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine

6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 115914744) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID115914744
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)N(CC1CC1)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C17H20ClN3/c1-12(2)21(11-13-8-9-13)16-10-15(18)19-17(20-16)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3
InChIKeyCXLMZUVMJVPIOS-UHFFFAOYSA-N
XLogP4.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine (CID 115914744) is 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine is CC(C)N(CC1CC1)c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is CXLMZUVMJVPIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-12(2)21(11-13-8-9-13)16-10-15(18)19-17(20-16)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3.
What are the key properties of 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115914744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).