2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine

C16H19N3 — CID 104846775

IUPAC2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(CC2CC2)nc(-c2ccccc2)c1C
InChIInChI=1S/C16H19N3/c1-11-15(13-6-4-3-5-7-13)18-14(10-12-8-9-12)19-16(11)17-2/h3-7,12H,8-10H2,1-2H3,(H,17,18,19)
InChIKeyBORHDMLYOWOFIB-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.45
Rot. Bonds4

About 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine

2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine (PubChem CID 104846775) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
PubChem CID104846775
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(CC2CC2)nc(-c2ccccc2)c1C
InChIInChI=1S/C16H19N3/c1-11-15(13-6-4-3-5-7-13)18-14(10-12-8-9-12)19-16(11)17-2/h3-7,12H,8-10H2,1-2H3,(H,17,18,19)
InChIKeyBORHDMLYOWOFIB-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine (CID 104846775) is 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine is CNc1nc(CC2CC2)nc(-c2ccccc2)c1C.
What is the InChIKey of 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
The InChIKey is BORHDMLYOWOFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-15(13-6-4-3-5-7-13)18-14(10-12-8-9-12)19-16(11)17-2/h3-7,12H,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine?
2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 104846775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).