1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one

C14H21N5O2 — CID 129398746

IUPAC1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
SMILESCN1CCN(c2cc(N[C@@H]3CCCOC3)ncn2)CC1=O
InChIInChI=1S/C14H21N5O2/c1-18-4-5-19(8-14(18)20)13-7-12(15-10-16-13)17-11-3-2-6-21-9-11/h7,10-11H,2-6,8-9H2,1H3,(H,15,16,17)/t11-/m1/s1
InChIKeyTWFOFGBGXLBWFV-LLVKDONJSA-N
MW291.35 g/mol
LogP0.35
Rot. Bonds3

About 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one

1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one (PubChem CID 129398746) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
PubChem CID129398746
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
SMILESCN1CCN(c2cc(N[C@@H]3CCCOC3)ncn2)CC1=O
InChIInChI=1S/C14H21N5O2/c1-18-4-5-19(8-14(18)20)13-7-12(15-10-16-13)17-11-3-2-6-21-9-11/h7,10-11H,2-6,8-9H2,1H3,(H,15,16,17)/t11-/m1/s1
InChIKeyTWFOFGBGXLBWFV-LLVKDONJSA-N
XLogP0.35
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one with MolForge

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Related Compounds

4-[6-(4-Acetyl-1-piperazinyl)-4-pyrimidinyl]morpholine
CID 70702860
N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72876657
N-(2-((2-methyl-6-morpholinopyrimidin-4-yl)amino)ethyl)pyrimidine-2-carboxamide
CID 52416993
N-(2-methylpropyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170528
N-(3-methylbutyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170529
N-{1-[6-(Dimethylamino)-4-pyrimidinyl]-3-piperidyl}-N'-(2-methoxyethyl)urea
CID 53185787
N-(2-methoxyethyl)-N'-{1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-3-piperidyl}urea
CID 53185806
2-(4-ethyl-1-piperazinyl)-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}acetamide
CID 70762772
9-Methyl-4-(2-morpholin-4-ylethylamino)-6-piperidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134787601
Sdccgsbi-0662697.P001
CID 134789665
9-Methyl-4-morpholin-4-yl-6-piperidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134790010
Methyl {4-[4-(ethylamino)pyrimidin-2-yl]-2-oxopiperazin-1-yl}acetate
CID 50964777

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one (CID 129398746) is 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one is CN1CCN(c2cc(N[C@@H]3CCCOC3)ncn2)CC1=O.
What is the InChIKey of 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one?
The InChIKey is TWFOFGBGXLBWFV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-18-4-5-19(8-14(18)20)13-7-12(15-10-16-13)17-11-3-2-6-21-9-11/h7,10-11H,2-6,8-9H2,1H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one?
1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 129398746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).