5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine

C14H14ClN3O — CID 80757851

IUPAC5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC2CC2c2ccccc2)n1
InChIInChI=1S/C14H14ClN3O/c1-19-14-16-8-11(15)13(18-14)17-12-7-10(12)9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3,(H,16,17,18)
InChIKeyUGNPKCCWHHFJFD-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.11
Rot. Bonds4

About 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine

5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine (PubChem CID 80757851) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine
PubChem CID80757851
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC2CC2c2ccccc2)n1
InChIInChI=1S/C14H14ClN3O/c1-19-14-16-8-11(15)13(18-14)17-12-7-10(12)9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3,(H,16,17,18)
InChIKeyUGNPKCCWHHFJFD-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine (CID 80757851) is 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine is COc1ncc(Cl)c(NC2CC2c2ccccc2)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The InChIKey is UGNPKCCWHHFJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-19-14-16-8-11(15)13(18-14)17-12-7-10(12)9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3,(H,16,17,18).
What are the key properties of 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine has a molecular weight of 275.74 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 80757851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).