(2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine

C17H23N5O — CID 95274101

IUPAC(2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
SMILESCc1cc(C)n(C[C@H]2CN(c3ncnc4c3CCC4)CCO2)n1
InChIInChI=1S/C17H23N5O/c1-12-8-13(2)22(20-12)10-14-9-21(6-7-23-14)17-15-4-3-5-16(15)18-11-19-17/h8,11,14H,3-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyBEIMJTKBWFBUMZ-CQSZACIVSA-N
MW313.40 g/mol
LogP1.68
Rot. Bonds3

About (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine

(2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine (PubChem CID 95274101) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
PubChem CID95274101
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
SMILESCc1cc(C)n(C[C@H]2CN(c3ncnc4c3CCC4)CCO2)n1
InChIInChI=1S/C17H23N5O/c1-12-8-13(2)22(20-12)10-14-9-21(6-7-23-14)17-15-4-3-5-16(15)18-11-19-17/h8,11,14H,3-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyBEIMJTKBWFBUMZ-CQSZACIVSA-N
XLogP1.68
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 133460489
methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate
CID 79771135
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(4-methoxypyrimidin-2-yl)morpholine
CID 95273980
methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate
CID 81005732
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95276284
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704456
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443391
6-methyl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864179
4-amino-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pentan-1-one
CID 120565469

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine (CID 95274101) is (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine is Cc1cc(C)n(C[C@H]2CN(c3ncnc4c3CCC4)CCO2)n1.
What is the InChIKey of (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
The InChIKey is BEIMJTKBWFBUMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-8-13(2)22(20-12)10-14-9-21(6-7-23-14)17-15-4-3-5-16(15)18-11-19-17/h8,11,14H,3-7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
(2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 95274101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).