3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol

C16H30N4O — CID 106358242

IUPAC3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCNc1cc(NC(CCO)C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-15(2,3)11(8-9-21)18-13-10-12(17-7)19-14(20-13)16(4,5)6/h10-11,21H,8-9H2,1-7H3,(H2,17,18,19,20)
InChIKeyYKHVDVLOBKBUKF-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.02
Rot. Bonds5

About 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol

3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106358242) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106358242
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCNc1cc(NC(CCO)C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-15(2,3)11(8-9-21)18-13-10-12(17-7)19-14(20-13)16(4,5)6/h10-11,21H,8-9H2,1-7H3,(H2,17,18,19,20)
InChIKeyYKHVDVLOBKBUKF-UHFFFAOYSA-N
XLogP3.02
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

2-tert-butyl-4-N-(3,3-dimethylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 104830549
2-tert-butyl-6-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80956274
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80967917
3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358372
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 114178348
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358269
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352656
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851

Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (CID 106358242) is 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol is CNc1cc(NC(CCO)C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is YKHVDVLOBKBUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-15(2,3)11(8-9-21)18-13-10-12(17-7)19-14(20-13)16(4,5)6/h10-11,21H,8-9H2,1-7H3,(H2,17,18,19,20).
What are the key properties of 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106358242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).