(6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one

C22H35N5O2 — CID 125168632

IUPAC(6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one
SMILESCCc1nc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ncc1C
InChIInChI=1S/C22H35N5O2/c1-3-20-16(2)10-23-22(25-20)24-11-19-14-27(21(28)15-29-19)13-18-6-8-26(9-7-18)12-17-4-5-17/h10,17-19H,3-9,11-15H2,1-2H3,(H,23,24,25)/t19-/m0/s1
InChIKeyBRAVILWICXSQAF-IBGZPJMESA-N
MW401.56 g/mol
LogP2.11
Rot. Bonds8

About (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one

(6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one (PubChem CID 125168632) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name(6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one
PubChem CID125168632
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name(6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one
SMILESCCc1nc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ncc1C
InChIInChI=1S/C22H35N5O2/c1-3-20-16(2)10-23-22(25-20)24-11-19-14-27(21(28)15-29-19)13-18-6-8-26(9-7-18)12-17-4-5-17/h10,17-19H,3-9,11-15H2,1-2H3,(H,23,24,25)/t19-/m0/s1
InChIKeyBRAVILWICXSQAF-IBGZPJMESA-N
XLogP2.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one with MolForge

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Related Compounds

2-({4-[6-(1-Pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}carbonyl)morpholine
CID 70754172
2-methyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 110237938
2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 110237945
(4S)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-4-morpholin-4-ylpentan-1-one
CID 100067985
(6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]morpholin-3-one
CID 125159821
5-Methyl-4-{1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperidin-4-yl}pyrimidine
CID 118780339
4-{[1-(Cyclopropylmethyl)-4-piperidinyl]methyl}-6-{[(6-ethyl-5-fluoro-4-pyrimidinyl)amino]methyl}-3-morpholinone
CID 154564556
9-(6-Ethyl-5-fluoro-4-pyrimidinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162634781
N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]-2-methoxyacetamide
CID 45187910
N-(1-{2-[cyclohexyl(methyl)amino]-4-methyl-5-pyrimidinyl}ethyl)-3-methyl-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 45210201
N-{1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl}-2-methoxyacetamide
CID 45242466
N-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]cyclopropanecarboxamide
CID 45248149

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one?
The IUPAC name of (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one (CID 125168632) is (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one.
What is the SMILES notation for (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one?
The canonical SMILES for (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one is CCc1nc(NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)ncc1C.
What is the InChIKey of (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one?
The InChIKey is BRAVILWICXSQAF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H35N5O2/c1-3-20-16(2)10-23-22(25-20)24-11-19-14-27(21(28)15-29-19)13-18-6-8-26(9-7-18)12-17-4-5-17/h10,17-19H,3-9,11-15H2,1-2H3,(H,23,24,25)/t19-/m0/s1.
What are the key properties of (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one?
(6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one has a molecular weight of 401.56 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one is sourced from PubChem (CID 125168632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).