2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H17N3 — CID 79979959

IUPAC2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(C3CC3)c2)nc2c1CCC2
InChIInChI=1S/C16H17N3/c17-15-13-5-2-6-14(13)18-16(19-15)12-4-1-3-11(9-12)10-7-8-10/h1,3-4,9-10H,2,5-8H2,(H2,17,18,19)
InChIKeyMJUZMEQCFQQWGC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.09
Rot. Bonds2

About 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 79979959) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID79979959
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(C3CC3)c2)nc2c1CCC2
InChIInChI=1S/C16H17N3/c17-15-13-5-2-6-14(13)18-16(19-15)12-4-1-3-11(9-12)10-7-8-10/h1,3-4,9-10H,2,5-8H2,(H2,17,18,19)
InChIKeyMJUZMEQCFQQWGC-UHFFFAOYSA-N
XLogP3.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 79979959) is 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(-c2cccc(C3CC3)c2)nc2c1CCC2.
What is the InChIKey of 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is MJUZMEQCFQQWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c17-15-13-5-2-6-14(13)18-16(19-15)12-4-1-3-11(9-12)10-7-8-10/h1,3-4,9-10H,2,5-8H2,(H2,17,18,19).
What are the key properties of 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 79979959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).