6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine

C16H18ClN3 — CID 80950968

IUPAC6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(Cl)nc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C16H18ClN3/c1-2-13(11-6-4-3-5-7-11)18-15-10-14(17)19-16(20-15)12-8-9-12/h3-7,10,12-13H,2,8-9H2,1H3,(H,18,19,20)
InChIKeyVNBULUJQKHVUNL-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.57
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine (PubChem CID 80950968) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
PubChem CID80950968
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(Cl)nc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C16H18ClN3/c1-2-13(11-6-4-3-5-7-11)18-15-10-14(17)19-16(20-15)12-8-9-12/h3-7,10,12-13H,2,8-9H2,1H3,(H,18,19,20)
InChIKeyVNBULUJQKHVUNL-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine (CID 80950968) is 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine is CCC(Nc1cc(Cl)nc(C2CC2)n1)c1ccccc1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine?
The InChIKey is VNBULUJQKHVUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-2-13(11-6-4-3-5-7-11)18-15-10-14(17)19-16(20-15)12-8-9-12/h3-7,10,12-13H,2,8-9H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80950968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).