2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

C16H30N4O — CID 106258482

IUPAC2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C16H30N4O/c1-7-16(8-2,10-21)9-18-13-11(3)12(17)19-14(20-13)15(4,5)6/h21H,7-10H2,1-6H3,(H3,17,18,19,20)
InChIKeyXGSZVCWBRMLDCK-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.88
Rot. Bonds6

About 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106258482) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106258482
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C16H30N4O/c1-7-16(8-2,10-21)9-18-13-11(3)12(17)19-14(20-13)15(4,5)6/h21H,7-10H2,1-6H3,(H3,17,18,19,20)
InChIKeyXGSZVCWBRMLDCK-UHFFFAOYSA-N
XLogP2.88
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol with MolForge

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Related Compounds

2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164988
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
2-ethyl-2-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 106256710
methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80981003
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106258224
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 81006589
3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80982844
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 80851174
2-tert-butyl-4-N-heptan-2-yl-5-methylpyrimidine-4,6-diamine
CID 80986702
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198680

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (CID 106258482) is 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1nc(C(C)(C)C)nc(N)c1C.
What is the InChIKey of 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is XGSZVCWBRMLDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-16(8-2,10-21)9-18-13-11(3)12(17)19-14(20-13)15(4,5)6/h21H,7-10H2,1-6H3,(H3,17,18,19,20).
What are the key properties of 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106258482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).