[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine

C12H18N4 — CID 62831697

IUPAC[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C12H18N4/c13-6-9-4-5-16(7-9)12-10-2-1-3-11(10)14-8-15-12/h8-9H,1-7,13H2
InChIKeyXFSYNOQFTHJMIF-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.75
Rot. Bonds2

About [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine

[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 62831697) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID62831697
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C12H18N4/c13-6-9-4-5-16(7-9)12-10-2-1-3-11(10)14-8-15-12/h8-9H,1-7,13H2
InChIKeyXFSYNOQFTHJMIF-UHFFFAOYSA-N
XLogP0.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine (CID 62831697) is [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2ncnc3c2CCC3)C1.
What is the InChIKey of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is XFSYNOQFTHJMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-6-9-4-5-16(7-9)12-10-2-1-3-11(10)14-8-15-12/h8-9H,1-7,13H2.
What are the key properties of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 218.30 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62831697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).