(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine

C19H24N6O — CID 125007734

IUPAC(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cc(C)nc([C@@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1
InChIInChI=1S/C19H24N6O/c1-12-7-13(2)22-18(21-12)17-11-24(5-6-26-17)10-16-9-20-25-15(4)8-14(3)23-19(16)25/h7-9,17H,5-6,10-11H2,1-4H3/t17-/m0/s1
InChIKeyUPTUPCOEOPPWQO-KRWDZBQOSA-N
MW352.44 g/mol
LogP2.33
Rot. Bonds3

About (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine

(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine (PubChem CID 125007734) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
PubChem CID125007734
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cc(C)nc([C@@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1
InChIInChI=1S/C19H24N6O/c1-12-7-13(2)22-18(21-12)17-11-24(5-6-26-17)10-16-9-20-25-15(4)8-14(3)23-19(16)25/h7-9,17H,5-6,10-11H2,1-4H3/t17-/m0/s1
InChIKeyUPTUPCOEOPPWQO-KRWDZBQOSA-N
XLogP2.33
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine
CID 124967443
N-[2-[(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 95190577
(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
CID 124944985
2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110115567
3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 77083067
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 127247823
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 124947302
5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 110106306
9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56749916
5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 77098483
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432210
4-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97188266

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
The IUPAC name of (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine (CID 125007734) is (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
The canonical SMILES for (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine is Cc1cc(C)nc([C@@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1.
What is the InChIKey of (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
The InChIKey is UPTUPCOEOPPWQO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-7-13(2)22-18(21-12)17-11-24(5-6-26-17)10-16-9-20-25-15(4)8-14(3)23-19(16)25/h7-9,17H,5-6,10-11H2,1-4H3/t17-/m0/s1.
What are the key properties of (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine has a molecular weight of 352.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 125007734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).