(2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

C17H26N6O — CID 129339901

IUPAC(2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCC(C)c1cc(N2CCO[C@@H](c3nncn3C)C2)nc(C(C)C)n1
InChIInChI=1S/C17H26N6O/c1-11(2)13-8-15(20-16(19-13)12(3)4)23-6-7-24-14(9-23)17-21-18-10-22(17)5/h8,10-12,14H,6-7,9H2,1-5H3/t14-/m1/s1
InChIKeyWNNBLJJBMDDTTI-CQSZACIVSA-N
MW330.44 g/mol
LogP2.43
Rot. Bonds4

About (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

(2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129339901) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129339901
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCC(C)c1cc(N2CCO[C@@H](c3nncn3C)C2)nc(C(C)C)n1
InChIInChI=1S/C17H26N6O/c1-11(2)13-8-15(20-16(19-13)12(3)4)23-6-7-24-14(9-23)17-21-18-10-22(17)5/h8,10-12,14H,6-7,9H2,1-5H3/t14-/m1/s1
InChIKeyWNNBLJJBMDDTTI-CQSZACIVSA-N
XLogP2.43
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(2-propan-2-ylpyrimidin-4-yl)morpholine
CID 129338053
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine
CID 122138214
2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine
CID 56877952
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine
CID 154755868
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine
CID 94075362
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129006956
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide
CID 79681577
4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129007338
2-fluoro-6-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 129005614
2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 126800921
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-3-oxa-9-azaspiro[5.5]undecane
CID 131963146

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 129339901) is (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is CC(C)c1cc(N2CCO[C@@H](c3nncn3C)C2)nc(C(C)C)n1.
What is the InChIKey of (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is WNNBLJJBMDDTTI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O/c1-11(2)13-8-15(20-16(19-13)12(3)4)23-6-7-24-14(9-23)17-21-18-10-22(17)5/h8,10-12,14H,6-7,9H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
(2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 330.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129339901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).