(2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

C22H30N6O2 — CID 95834184

IUPAC(2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1
InChIInChI=1S/C22H30N6O2/c1-17(16-27-11-13-30-14-12-27)21(29)28-9-5-18(6-10-28)20-4-3-19(15-25-20)26-22-23-7-2-8-24-22/h2-4,7-8,15,17-18H,5-6,9-14,16H2,1H3,(H,23,24,26)/t17-/m0/s1
InChIKeyQTIZHPWQQGASKN-KRWDZBQOSA-N
MW410.52 g/mol
LogP2.29
Rot. Bonds6

About (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

(2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 95834184) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID95834184
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name(2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1
InChIInChI=1S/C22H30N6O2/c1-17(16-27-11-13-30-14-12-27)21(29)28-9-5-18(6-10-28)20-4-3-19(15-25-20)26-22-23-7-2-8-24-22/h2-4,7-8,15,17-18H,5-6,9-14,16H2,1H3,(H,23,24,26)/t17-/m0/s1
InChIKeyQTIZHPWQQGASKN-KRWDZBQOSA-N
XLogP2.29
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

(2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124966495
(2R)-1-[4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
CID 95800212
N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine
CID 141355409
2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one
CID 110246330
[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
CID 110264183
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 97131340
N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249199
(2R)-2-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropanamide
CID 97252488
N-[(2R)-1-methoxypropan-2-yl]-2-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 95834223
2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 95834221
(2R)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124981712
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
CID 110262306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 95834184) is (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1.
What is the InChIKey of (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is QTIZHPWQQGASKN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-17(16-27-11-13-30-14-12-27)21(29)28-9-5-18(6-10-28)20-4-3-19(15-25-20)26-22-23-7-2-8-24-22/h2-4,7-8,15,17-18H,5-6,9-14,16H2,1H3,(H,23,24,26)/t17-/m0/s1.
What are the key properties of (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
(2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 410.52 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-morpholin-4-yl-1-[4-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95834184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).