4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol

C12H22N4O — CID 80991783

IUPAC4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCc1c(N)nc(C(C)C)nc1NCCC(C)O
InChIInChI=1S/C12H22N4O/c1-7(2)11-15-10(13)9(4)12(16-11)14-6-5-8(3)17/h7-8,17H,5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyMLWRAERGZYSTRV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.67
Rot. Bonds5

About 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol

4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 80991783) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID80991783
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCc1c(N)nc(C(C)C)nc1NCCC(C)O
InChIInChI=1S/C12H22N4O/c1-7(2)11-15-10(13)9(4)12(16-11)14-6-5-8(3)17/h7-8,17H,5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyMLWRAERGZYSTRV-UHFFFAOYSA-N
XLogP1.67
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol with MolForge

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Related Compounds

5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343135
ethyl 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanoate
CID 80984350
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631
5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106332041

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol (CID 80991783) is 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol is Cc1c(N)nc(C(C)C)nc1NCCC(C)O.
What is the InChIKey of 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is MLWRAERGZYSTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(2)11-15-10(13)9(4)12(16-11)14-6-5-8(3)17/h7-8,17H,5-6H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 80991783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).