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

C15H26N4O — CID 136780979

IUPAC2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CC2CCCN2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-10(2)15-17-13(8-14(20)18-15)19(11(3)4)9-12-6-5-7-16-12/h8,10-12,16H,5-7,9H2,1-4H3,(H,17,18,20)
InChIKeyOKMVMINGQJKFCO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds5

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

2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136780979) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136780979
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CC2CCCN2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-10(2)15-17-13(8-14(20)18-15)19(11(3)4)9-12-6-5-7-16-12/h8,10-12,16H,5-7,9H2,1-4H3,(H,17,18,20)
InChIKeyOKMVMINGQJKFCO-UHFFFAOYSA-N
XLogP1.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136780979) is 2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CC(C)c1nc(N(CC2CCCN2)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is OKMVMINGQJKFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)15-17-13(8-14(20)18-15)19(11(3)4)9-12-6-5-7-16-12/h8,10-12,16H,5-7,9H2,1-4H3,(H,17,18,20).
What are the key properties of 2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.86, 5 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-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).