4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

C14H24N4O2 — CID 136781005

IUPAC4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCCCN(CC1CCCN1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H24N4O2/c1-3-4-8-18(9-11-6-5-7-15-11)13-12(20-2)14(19)17-10-16-13/h10-11,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyYJVCSRKBYGYZHB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.14
Rot. Bonds7

About 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136781005) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136781005
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCCCN(CC1CCCN1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H24N4O2/c1-3-4-8-18(9-11-6-5-7-15-11)13-12(20-2)14(19)17-10-16-13/h10-11,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyYJVCSRKBYGYZHB-UHFFFAOYSA-N
XLogP1.14
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4,6-dimethoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620394
5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
CID 136978148
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620278
6-methoxy-5-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619899
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620261
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-butyl-1-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 106620287
N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 106619613
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620441

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136781005) is 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCCCN(CC1CCCN1)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is YJVCSRKBYGYZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-4-8-18(9-11-6-5-7-15-11)13-12(20-2)14(19)17-10-16-13/h10-11,15H,3-9H2,1-2H3,(H,16,17,19).
What are the key properties of 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136781005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).