3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

C14H26N4O2 — CID 106348403

IUPAC3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCCOc1ncnc(NC(CCO)C(C)(C)C)c1N
InChIInChI=1S/C14H26N4O2/c1-5-8-20-13-11(15)12(16-9-17-13)18-10(6-7-19)14(2,3)4/h9-10,19H,5-8,15H2,1-4H3,(H,16,17,18)
InChIKeyNFNKNUZUUQDDGV-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.06
Rot. Bonds7

About 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106348403) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106348403
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCCOc1ncnc(NC(CCO)C(C)(C)C)c1N
InChIInChI=1S/C14H26N4O2/c1-5-8-20-13-11(15)12(16-9-17-13)18-10(6-7-19)14(2,3)4/h9-10,19H,5-8,15H2,1-4H3,(H,16,17,18)
InChIKeyNFNKNUZUUQDDGV-UHFFFAOYSA-N
XLogP2.06
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106348239
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106113772
2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251360
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114178343
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358031
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106167427
3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348369
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358458
3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352639
4-N-(3-methylbut-2-enyl)-6-propoxypyrimidine-4,5-diamine
CID 106182344
tert-butyl N-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethyl]carbamate
CID 104932898

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 106348403) is 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is CCCOc1ncnc(NC(CCO)C(C)(C)C)c1N.
What is the InChIKey of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is NFNKNUZUUQDDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-8-20-13-11(15)12(16-9-17-13)18-10(6-7-19)14(2,3)4/h9-10,19H,5-8,15H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106348403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).