3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

C21H35N5O4 — CID 135933128

IUPAC3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C21H35N5O4/c1-15(2)13-25-6-11-30-17(14-25)12-22-19(27)5-4-18-16(3)23-21(24-20(18)28)26-7-9-29-10-8-26/h15,17H,4-14H2,1-3H3,(H,22,27)(H,23,24,28)/t17-/m1/s1
InChIKeyPEDHVFGQKRDUQY-QGZVFWFLSA-N
MW421.54 g/mol
LogP0.32
Rot. Bonds8

About 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (PubChem CID 135933128) has the molecular formula C21H35N5O4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
PubChem CID135933128
Molecular FormulaC21H35N5O4
Molecular Weight421.54 g/mol
Exact Mass421.27
IUPAC Name3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C21H35N5O4/c1-15(2)13-25-6-11-30-17(14-25)12-22-19(27)5-4-18-16(3)23-21(24-20(18)28)26-7-9-29-10-8-26/h15,17H,4-14H2,1-3H3,(H,22,27)(H,23,24,28)/t17-/m1/s1
InChIKeyPEDHVFGQKRDUQY-QGZVFWFLSA-N
XLogP0.32
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35365201
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 135883436
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 137302247
3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35363430
N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135667497
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 135667488
(E)-2-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]hex-4-enoic acid
CID 137097170
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137295643
5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 137288209
N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137302255
4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135667510

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The IUPAC name of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (CID 135933128) is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@@H]1CN(CC(C)C)CCO1.
What is the InChIKey of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The InChIKey is PEDHVFGQKRDUQY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H35N5O4/c1-15(2)13-25-6-11-30-17(14-25)12-22-19(27)5-4-18-16(3)23-21(24-20(18)28)26-7-9-29-10-8-26/h15,17H,4-14H2,1-3H3,(H,22,27)(H,23,24,28)/t17-/m1/s1.
What are the key properties of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide has a molecular weight of 421.54 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is sourced from PubChem (CID 135933128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).