N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine

C16H24N4 — CID 62831889

IUPACN-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
SMILESc1nc2c(c(N3CCCCC3CNC3CC3)n1)CCC2
InChIInChI=1S/C16H24N4/c1-2-9-20(13(4-1)10-17-12-7-8-12)16-14-5-3-6-15(14)18-11-19-16/h11-13,17H,1-10H2
InChIKeyYRZLNQFKBYBNDL-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.08
Rot. Bonds4

About N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine

N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 62831889) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
PubChem CID62831889
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
SMILESc1nc2c(c(N3CCCCC3CNC3CC3)n1)CCC2
InChIInChI=1S/C16H24N4/c1-2-9-20(13(4-1)10-17-12-7-8-12)16-14-5-3-6-15(14)18-11-19-16/h11-13,17H,1-10H2
InChIKeyYRZLNQFKBYBNDL-UHFFFAOYSA-N
XLogP2.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine (CID 62831889) is N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine is c1nc2c(c(N3CCCCC3CNC3CC3)n1)CCC2.
What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is YRZLNQFKBYBNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-9-20(13(4-1)10-17-12-7-8-12)16-14-5-3-6-15(14)18-11-19-16/h11-13,17H,1-10H2.
What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 272.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62831889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).