1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

C11H19BrN4O — CID 107159495

IUPAC1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1nc(N)ncc1Br
InChIInChI=1S/C11H19BrN4O/c1-11(2,3)4-7(17)5-14-9-8(12)6-15-10(13)16-9/h6-7,17H,4-5H2,1-3H3,(H3,13,14,15,16)
InChIKeyBHEFHXWJZZWVGU-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.03
Rot. Bonds4

About 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107159495) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107159495
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1nc(N)ncc1Br
InChIInChI=1S/C11H19BrN4O/c1-11(2,3)4-7(17)5-14-9-8(12)6-15-10(13)16-9/h6-7,17H,4-5H2,1-3H3,(H3,13,14,15,16)
InChIKeyBHEFHXWJZZWVGU-UHFFFAOYSA-N
XLogP2.03
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

(1-(((2-Amino-5-bromo-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol
CID 385198
1-[(2-Amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72934373
3-[[5-Bromo-4-(methylamino)pyrimidin-2-yl]amino]-2-methylpropan-1-ol
CID 86802992
(3S)-3-[(5-bromopyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 97574532
[1-[[[5-Bromo-4-(methylamino)pyrimidin-2-yl]amino]methyl]cyclobutyl]methanol
CID 99856798
(4R)-1-[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]-6,6-dimethylazepan-4-ol
CID 164640981
(2S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 150849680
[1-[[5-(Aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol
CID 170191141
4-[[5-bromo-2-[[(2S)-2-fluorobutyl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170437862
4-[[5-Bromo-2-(2-fluorobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170437865
1-[5-Fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80779099
1-[2-(Ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
CID 80780024

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (CID 107159495) is 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1nc(N)ncc1Br.
What is the InChIKey of 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is BHEFHXWJZZWVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-11(2,3)4-7(17)5-14-9-8(12)6-15-10(13)16-9/h6-7,17H,4-5H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 303.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107159495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).