4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine

C17H19ClN2O — CID 80970542

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cccc(OC(C)C)c1
InChIInChI=1S/C17H19ClN2O/c1-10(2)21-14-6-4-5-13(9-14)15-11(3)16(18)20-17(19-15)12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyVWDNYUWDICEFPN-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.77
Rot. Bonds4

About 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine (PubChem CID 80970542) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
PubChem CID80970542
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cccc(OC(C)C)c1
InChIInChI=1S/C17H19ClN2O/c1-10(2)21-14-6-4-5-13(9-14)15-11(3)16(18)20-17(19-15)12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyVWDNYUWDICEFPN-UHFFFAOYSA-N
XLogP4.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine (CID 80970542) is 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine is Cc1c(Cl)nc(C2CC2)nc1-c1cccc(OC(C)C)c1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is VWDNYUWDICEFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-10(2)21-14-6-4-5-13(9-14)15-11(3)16(18)20-17(19-15)12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 302.81 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 80970542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).