2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol

C12H20ClN3O — CID 64550149

IUPAC2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C12H20ClN3O/c1-5-12(4,6-17)16-11-9(8(2)3)10(13)14-7-15-11/h7-8,17H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyZZAMSNFZKNPNDT-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.83
Rot. Bonds5

About 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol

2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 64550149) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID64550149
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C12H20ClN3O/c1-5-12(4,6-17)16-11-9(8(2)3)10(13)14-7-15-11/h7-8,17H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyZZAMSNFZKNPNDT-UHFFFAOYSA-N
XLogP2.83
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,2-dimethylbutyl)-5-propan-2-ylpyrimidin-4-amine
CID 103463567
6-N-methyl-4-N-(3-methylpentan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 106332068
2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 64550559
6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
CID 107854050
N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 113293277
6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106330892
N-but-2-ynyl-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106195802
2-methyl-2-(quinazolin-4-ylamino)butan-1-ol
CID 64555655
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 66327907
2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911092
6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102699925
methyl 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 55229687

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 64550149) is 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is ZZAMSNFZKNPNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-5-12(4,6-17)16-11-9(8(2)3)10(13)14-7-15-11/h7-8,17H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 64550149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).