5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

C12H22N4O2 — CID 106141264

IUPAC5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCOc1ncnc(NCC(C)(C)CCCO)c1N
InChIInChI=1S/C12H22N4O2/c1-12(2,5-4-6-17)7-14-10-9(13)11(18-3)16-8-15-10/h8,17H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyODZFYAPXFQBGIF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.28
Rot. Bonds7

About 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106141264) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106141264
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCOc1ncnc(NCC(C)(C)CCCO)c1N
InChIInChI=1S/C12H22N4O2/c1-12(2,5-4-6-17)7-14-10-9(13)11(18-3)16-8-15-10/h8,17H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyODZFYAPXFQBGIF-UHFFFAOYSA-N
XLogP1.28
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103896010
1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141779
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
5-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857359
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244
5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106149949
6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182340
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106141224
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106167427
2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251360

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 106141264) is 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is COc1ncnc(NCC(C)(C)CCCO)c1N.
What is the InChIKey of 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is ODZFYAPXFQBGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,5-4-6-17)7-14-10-9(13)11(18-3)16-8-15-10/h8,17H,4-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106141264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).