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

C14H24N4O — CID 136780987

IUPAC4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN(CC1CCCN1)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-4-18(9-11-6-5-7-15-11)12-8-13(19)17-14(16-12)10(2)3/h8,10-11,15H,4-7,9H2,1-3H3,(H,16,17,19)
InChIKeyZHHTYFMJLYUYBX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.47
Rot. Bonds5

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

4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136780987) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136780987
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN(CC1CCCN1)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-4-18(9-11-6-5-7-15-11)12-8-13(19)17-14(16-12)10(2)3/h8,10-11,15H,4-7,9H2,1-3H3,(H,16,17,19)
InChIKeyZHHTYFMJLYUYBX-UHFFFAOYSA-N
XLogP1.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136780987) is 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CCN(CC1CCCN1)c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZHHTYFMJLYUYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-18(9-11-6-5-7-15-11)12-8-13(19)17-14(16-12)10(2)3/h8,10-11,15H,4-7,9H2,1-3H3,(H,16,17,19).
What are the key properties of 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136780987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).