2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C15H26N4O — CID 136780995

IUPAC2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCN1)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H26N4O/c1-4-8-19(10-12-6-5-7-16-12)13-9-14(20)18-15(17-13)11(2)3/h9,11-12,16H,4-8,10H2,1-3H3,(H,17,18,20)
InChIKeyQCRVNCZIZBVRES-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds6

About 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136780995) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136780995
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCN1)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H26N4O/c1-4-8-19(10-12-6-5-7-16-12)13-9-14(20)18-15(17-13)11(2)3/h9,11-12,16H,4-8,10H2,1-3H3,(H,17,18,20)
InChIKeyQCRVNCZIZBVRES-UHFFFAOYSA-N
XLogP1.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136780995) is 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CCCN(CC1CCCN1)c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QCRVNCZIZBVRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-8-19(10-12-6-5-7-16-12)13-9-14(20)18-15(17-13)11(2)3/h9,11-12,16H,4-8,10H2,1-3H3,(H,17,18,20).
What are the key properties of 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).