(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine

C17H24N6O — CID 97484662

IUPAC(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
SMILESCn1cc(CN2CCOC[C@@H]2c2nccc(N3CCCC3)n2)cn1
InChIInChI=1S/C17H24N6O/c1-21-11-14(10-19-21)12-23-8-9-24-13-15(23)17-18-5-4-16(20-17)22-6-2-3-7-22/h4-5,10-11,15H,2-3,6-9,12-13H2,1H3/t15-/m1/s1
InChIKeyXMOOPSFLDQCJQZ-OAHLLOKOSA-N
MW328.42 g/mol
LogP1.38
Rot. Bonds4

About (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine

(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine (PubChem CID 97484662) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
PubChem CID97484662
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
SMILESCn1cc(CN2CCOC[C@@H]2c2nccc(N3CCCC3)n2)cn1
InChIInChI=1S/C17H24N6O/c1-21-11-14(10-19-21)12-23-8-9-24-13-15(23)17-18-5-4-16(20-17)22-6-2-3-7-22/h4-5,10-11,15H,2-3,6-9,12-13H2,1H3/t15-/m1/s1
InChIKeyXMOOPSFLDQCJQZ-OAHLLOKOSA-N
XLogP1.38
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97486112
(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine
CID 97486436
4-[(3-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826620
4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine
CID 131640087
3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155827817
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide
CID 97487508
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid
CID 103004849
4-[(1-methylpyrazol-4-yl)methyl]-6-[(2-methylpyrimidin-4-yl)methyl]-1,4-oxazepane
CID 102604299
[4-methyl-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636015
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
The IUPAC name of (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine (CID 97484662) is (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine is Cn1cc(CN2CCOC[C@@H]2c2nccc(N3CCCC3)n2)cn1.
What is the InChIKey of (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
The InChIKey is XMOOPSFLDQCJQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21-11-14(10-19-21)12-23-8-9-24-13-15(23)17-18-5-4-16(20-17)22-6-2-3-7-22/h4-5,10-11,15H,2-3,6-9,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine has a molecular weight of 328.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 97484662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).