1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

C13H22N4O — CID 114169928

IUPAC1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-6-13(2,18)8-15-11-7-10(14)16-12(17-11)9-4-5-9/h7,9,18H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGMZYLZQZPAXBBL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.90
Rot. Bonds6

About 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 114169928) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID114169928
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-6-13(2,18)8-15-11-7-10(14)16-12(17-11)9-4-5-9/h7,9,18H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGMZYLZQZPAXBBL-UHFFFAOYSA-N
XLogP1.90
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol with MolForge

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Related Compounds

1-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296296
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256622
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80959054
2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 121206040
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436
1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106294502
2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
CID 113495358
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280526
1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293545

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 114169928) is 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is GMZYLZQZPAXBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-6-13(2,18)8-15-11-7-10(14)16-12(17-11)9-4-5-9/h7,9,18H,3-6,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 250.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 114169928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).