N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H17N5 — CID 55045480

IUPACN-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncccn2)nc2c1CCC2
InChIInChI=1S/C14H17N5/c1-2-7-15-12-10-5-3-6-11(10)18-14(19-12)13-16-8-4-9-17-13/h4,8-9H,2-3,5-7H2,1H3,(H,15,18,19)
InChIKeyOAGFEJQAKHEYAY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.24
Rot. Bonds4

About N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 55045480) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID55045480
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncccn2)nc2c1CCC2
InChIInChI=1S/C14H17N5/c1-2-7-15-12-10-5-3-6-11(10)18-14(19-12)13-16-8-4-9-17-13/h4,8-9H,2-3,5-7H2,1H3,(H,15,18,19)
InChIKeyOAGFEJQAKHEYAY-UHFFFAOYSA-N
XLogP2.24
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 55045480) is N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCNc1nc(-c2ncccn2)nc2c1CCC2.
What is the InChIKey of N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is OAGFEJQAKHEYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-7-15-12-10-5-3-6-11(10)18-14(19-12)13-16-8-4-9-17-13/h4,8-9H,2-3,5-7H2,1H3,(H,15,18,19).
What are the key properties of N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 55045480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).