2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C19H19N5 — CID 124626058

IUPAC2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC[C@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccncc1
InChIInChI=1S/C19H19N5/c1-13(14-8-11-20-12-9-14)22-18-15-5-4-7-16(15)23-19(24-18)17-6-2-3-10-21-17/h2-3,6,8-13H,4-5,7H2,1H3,(H,22,23,24)/t13-/m0/s1
InChIKeyZHVBLRUYRZEDGV-ZDUSSCGKSA-N
MW317.40 g/mol
LogP3.60
Rot. Bonds4

About 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 124626058) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID124626058
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESC[C@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccncc1
InChIInChI=1S/C19H19N5/c1-13(14-8-11-20-12-9-14)22-18-15-5-4-7-16(15)23-19(24-18)17-6-2-3-10-21-17/h2-3,6,8-13H,4-5,7H2,1H3,(H,22,23,24)/t13-/m0/s1
InChIKeyZHVBLRUYRZEDGV-ZDUSSCGKSA-N
XLogP3.60
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 124626058) is 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is C[C@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccncc1.
What is the InChIKey of 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ZHVBLRUYRZEDGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N5/c1-13(14-8-11-20-12-9-14)22-18-15-5-4-7-16(15)23-19(24-18)17-6-2-3-10-21-17/h2-3,6,8-13H,4-5,7H2,1H3,(H,22,23,24)/t13-/m0/s1.
What are the key properties of 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 124626058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).