[1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C18H26N6O2 — CID 133365180

IUPAC[1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCn1cc(C2(C)CN(c3cc(N4CCCC4CO)ncn3)CCO2)cn1
InChIInChI=1S/C18H26N6O2/c1-18(14-9-21-22(2)10-14)12-23(6-7-26-18)16-8-17(20-13-19-16)24-5-3-4-15(24)11-25/h8-10,13,15,25H,3-7,11-12H2,1-2H3
InChIKeyCISIJHQGXZHFAK-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.92
Rot. Bonds4

About [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133365180) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133365180
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name[1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCn1cc(C2(C)CN(c3cc(N4CCCC4CO)ncn3)CCO2)cn1
InChIInChI=1S/C18H26N6O2/c1-18(14-9-21-22(2)10-14)12-23(6-7-26-18)16-8-17(20-13-19-16)24-5-3-4-15(24)11-25/h8-10,13,15,25H,3-7,11-12H2,1-2H3
InChIKeyCISIJHQGXZHFAK-UHFFFAOYSA-N
XLogP0.92
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133479701
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 127470253
4-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133364977
4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 127909652
[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 95763979
[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 126798700
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133379583
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133300212
[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100838350
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763994

Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133365180) is [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is Cn1cc(C2(C)CN(c3cc(N4CCCC4CO)ncn3)CCO2)cn1.
What is the InChIKey of [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is CISIJHQGXZHFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-18(14-9-21-22(2)10-14)12-23(6-7-26-18)16-8-17(20-13-19-16)24-5-3-4-15(24)11-25/h8-10,13,15,25H,3-7,11-12H2,1-2H3.
What are the key properties of [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 358.45 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133365180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).