2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane

C17H24ClN5O2 — CID 145100338

IUPAC2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane
SMILESCC(C)(O)c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.CCl
InChIInChI=1S/C16H21N5O2.CH3Cl/c1-16(2,22)13-9-12(11-3-4-14(17)18-10-11)19-15(20-13)21-5-7-23-8-6-21;1-2/h3-4,9-10,22H,5-8H2,1-2H3,(H2,17,18);1H3
InChIKeyWAMDJIDXCHEYQM-UHFFFAOYSA-N
MW365.87 g/mol
LogP2.04
Rot. Bonds3

About 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane

2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane (PubChem CID 145100338) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane.

Molecular Properties

Compound Name2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane
PubChem CID145100338
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane
SMILESCC(C)(O)c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.CCl
InChIInChI=1S/C16H21N5O2.CH3Cl/c1-16(2,22)13-9-12(11-3-4-14(17)18-10-11)19-15(20-13)21-5-7-23-8-6-21;1-2/h3-4,9-10,22H,5-8H2,1-2H3,(H2,17,18);1H3
InChIKeyWAMDJIDXCHEYQM-UHFFFAOYSA-N
XLogP2.04
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
5-[2-morpholin-4-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]pyridin-2-amine
CID 59507463
2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol
CID 71177798
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421
6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507630
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507868
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285
4-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-5-amine
CID 59507841
5-(5-morpholin-4-yl-2-pyridinyl)pyridin-2-amine
CID 172791169
2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol
CID 155466010

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane?
The IUPAC name of 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane (CID 145100338) is 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane.
What is the SMILES notation for 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane?
The canonical SMILES for 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane is CC(C)(O)c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.CCl.
What is the InChIKey of 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane?
The InChIKey is WAMDJIDXCHEYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.CH3Cl/c1-16(2,22)13-9-12(11-3-4-14(17)18-10-11)19-15(20-13)21-5-7-23-8-6-21;1-2/h3-4,9-10,22H,5-8H2,1-2H3,(H2,17,18);1H3.
What are the key properties of 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane?
2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane has a molecular weight of 365.87 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane is sourced from PubChem (CID 145100338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).