3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

C10H16F2N4O2 — CID 106167427

IUPAC3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCCOc1ncnc(NCC(F)(F)CO)c1N
InChIInChI=1S/C10H16F2N4O2/c1-2-3-18-9-7(13)8(15-6-16-9)14-4-10(11,12)5-17/h6,17H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyOEXIMANVQSSPBO-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.89
Rot. Bonds7

About 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106167427) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106167427
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCCOc1ncnc(NCC(F)(F)CO)c1N
InChIInChI=1S/C10H16F2N4O2/c1-2-3-18-9-7(13)8(15-6-16-9)14-4-10(11,12)5-17/h6,17H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyOEXIMANVQSSPBO-UHFFFAOYSA-N
XLogP0.89
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251360
4-N-(3-methylbut-2-enyl)-6-propoxypyrimidine-4,5-diamine
CID 106182344
3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106113772
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348403
tert-butyl N-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethyl]carbamate
CID 104932898
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
4-N-[(2-methylcyclopropyl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 113463651
tert-butyl N-[3-[(5-amino-6-propoxypyrimidin-4-yl)amino]propyl]carbamate
CID 104932840
4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 82733718
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106348239
6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine
CID 106894823

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106167427) is 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is CCCOc1ncnc(NCC(F)(F)CO)c1N.
What is the InChIKey of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is OEXIMANVQSSPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-2-3-18-9-7(13)8(15-6-16-9)14-4-10(11,12)5-17/h6,17H,2-5,13H2,1H3,(H,14,15,16).
What are the key properties of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 262.26 g/mol, XLogP of 0.89, 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]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106167427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).