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

C14H24N4O2 — CID 136781042

IUPAC4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCO)CC2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O2/c1-10(2)14-16-12(8-13(20)17-14)18(6-7-19)9-11-4-3-5-15-11/h8,10-11,15,19H,3-7,9H2,1-2H3,(H,16,17,20)
InChIKeyLGNGOEFYWHTBDZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.44
Rot. Bonds6

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

4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136781042) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136781042
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCO)CC2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O2/c1-10(2)14-16-12(8-13(20)17-14)18(6-7-19)9-11-4-3-5-15-11/h8,10-11,15,19H,3-7,9H2,1-2H3,(H,16,17,20)
InChIKeyLGNGOEFYWHTBDZ-UHFFFAOYSA-N
XLogP0.44
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672452
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
4-(3-amino-4-methylpyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136677202
2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731503
2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731509
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136758191
2-ethyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758192
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136758193
2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758197
2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780966
2-methyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780968
2-cyclopropyl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780974

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136781042) is 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(CCO)CC2CCCN2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LGNGOEFYWHTBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)14-16-12(8-13(20)17-14)18(6-7-19)9-11-4-3-5-15-11/h8,10-11,15,19H,3-7,9H2,1-2H3,(H,16,17,20).
What are the key properties of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136781042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).