(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one

C14H22N4O2 — CID 126450964

IUPAC(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
SMILESCCO[C@H](C)C(=O)N1CCC(c2ccnc(N)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-10(2)13(19)18-8-5-11(6-9-18)12-4-7-16-14(15)17-12/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H2,15,16,17)/t10-/m1/s1
InChIKeyWTPLWPPFAKDEPE-SNVBAGLBSA-N
MW278.36 g/mol
LogP1.19
Rot. Bonds4

About (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one

(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one (PubChem CID 126450964) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
PubChem CID126450964
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
SMILESCCO[C@H](C)C(=O)N1CCC(c2ccnc(N)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-10(2)13(19)18-8-5-11(6-9-18)12-4-7-16-14(15)17-12/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H2,15,16,17)/t10-/m1/s1
InChIKeyWTPLWPPFAKDEPE-SNVBAGLBSA-N
XLogP1.19
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 3-(2-morpholin-4-ylpyrimidin-4-yl)azetidine-1-carboxylate
CID 137634001
1-(2-((4-Methylpyrimidin-2-yl)oxy)acetyl)piperidine-4-carboxamide
CID 52417045
N-[[8-(4-cyclopentylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 56879347
4-{6-[1-(Isopropoxyacetyl)-4-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70709841
2-({4-[6-(1-Pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}carbonyl)morpholine
CID 70754172
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone
CID 73439360
(3S,4S)-1-(2-methoxyacetyl)-N-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92610190
1-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95840961
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110249232
2-Methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110254253
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
CID 110269090
N-{cis-3-[6-({3-[(1-methylpiperidin-4-yl)oxy]propyl}amino)pyrimidin-4-yl]cyclobutyl}acetamide
CID 91765661

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one?
The IUPAC name of (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one (CID 126450964) is (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one?
The canonical SMILES for (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one is CCO[C@H](C)C(=O)N1CCC(c2ccnc(N)n2)CC1.
What is the InChIKey of (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one?
The InChIKey is WTPLWPPFAKDEPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-20-10(2)13(19)18-8-5-11(6-9-18)12-4-7-16-14(15)17-12/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H2,15,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one?
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one has a molecular weight of 278.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one is sourced from PubChem (CID 126450964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).