4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

C16H18N4O — CID 137008415

IUPAC4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1Cc2ccccc2C1Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H18N4O/c17-12-7-10-3-1-2-4-11(10)15(12)18-13-8-14(21)20-16(19-13)9-5-6-9/h1-4,8-9,12,15H,5-7,17H2,(H2,18,19,20,21)
InChIKeyKMKGJNRMWHXLHD-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.68
Rot. Bonds3

About 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 137008415) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID137008415
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1Cc2ccccc2C1Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H18N4O/c17-12-7-10-3-1-2-4-11(10)15(12)18-13-8-14(21)20-16(19-13)9-5-6-9/h1-4,8-9,12,15H,5-7,17H2,(H2,18,19,20,21)
InChIKeyKMKGJNRMWHXLHD-UHFFFAOYSA-N
XLogP1.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 137008415) is 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is NC1Cc2ccccc2C1Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is KMKGJNRMWHXLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-12-7-10-3-1-2-4-11(10)15(12)18-13-8-14(21)20-16(19-13)9-5-6-9/h1-4,8-9,12,15H,5-7,17H2,(H2,18,19,20,21).
What are the key properties of 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 282.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).