3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol

C16H30N4O — CID 80993315

IUPAC3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
SMILESCNc1nc(C(C)(C)C)nc(N(CCCO)C(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-11(2)20(9-8-10-21)14-12(3)13(17-7)18-15(19-14)16(4,5)6/h11,21H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyZDKBAWJDBWTEPR-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds6

About 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol

3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol (PubChem CID 80993315) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
PubChem CID80993315
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
SMILESCNc1nc(C(C)(C)C)nc(N(CCCO)C(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-11(2)20(9-8-10-21)14-12(3)13(17-7)18-15(19-14)16(4,5)6/h11,21H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyZDKBAWJDBWTEPR-UHFFFAOYSA-N
XLogP2.72
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol with MolForge

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Related Compounds

2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80993309
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972296
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80984473
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80993102
2-tert-butyl-4-N-[2-(dimethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981185
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80994978
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80983153
2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80982626

Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol (CID 80993315) is 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol is CNc1nc(C(C)(C)C)nc(N(CCCO)C(C)C)c1C.
What is the InChIKey of 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
The InChIKey is ZDKBAWJDBWTEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-11(2)20(9-8-10-21)14-12(3)13(17-7)18-15(19-14)16(4,5)6/h11,21H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 80993315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).