2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C16H24N4O — CID 136780997

IUPAC2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CC2)CC2CCCN2)nc(C2CC2)[nH]1
InChIInChI=1S/C16H24N4O/c21-15-8-14(18-16(19-15)12-5-6-12)20(9-11-3-4-11)10-13-2-1-7-17-13/h8,11-13,17H,1-7,9-10H2,(H,18,19,21)
InChIKeyWXOUIWHDEQPBER-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.62
Rot. Bonds6

About 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136780997) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136780997
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CC2)CC2CCCN2)nc(C2CC2)[nH]1
InChIInChI=1S/C16H24N4O/c21-15-8-14(18-16(19-15)12-5-6-12)20(9-11-3-4-11)10-13-2-1-7-17-13/h8,11-13,17H,1-7,9-10H2,(H,18,19,21)
InChIKeyWXOUIWHDEQPBER-UHFFFAOYSA-N
XLogP1.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136780997) is 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is O=c1cc(N(CC2CC2)CC2CCCN2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WXOUIWHDEQPBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-15-8-14(18-16(19-15)12-5-6-12)20(9-11-3-4-11)10-13-2-1-7-17-13/h8,11-13,17H,1-7,9-10H2,(H,18,19,21).
What are the key properties of 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 288.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).