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

C7H10F2N4O — CID 106174483

IUPAC3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cc(NCC(F)(F)CO)ncn1
InChIInChI=1S/C7H10F2N4O/c8-7(9,3-14)2-11-6-1-5(10)12-4-13-6/h1,4,14H,2-3H2,(H3,10,11,12,13)
InChIKeySYVCTRJBDXYCLO-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.10
Rot. Bonds4

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

3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106174483) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106174483
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cc(NCC(F)(F)CO)ncn1
InChIInChI=1S/C7H10F2N4O/c8-7(9,3-14)2-11-6-1-5(10)12-4-13-6/h1,4,14H,2-3H2,(H3,10,11,12,13)
InChIKeySYVCTRJBDXYCLO-UHFFFAOYSA-N
XLogP0.10
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-Chloro-4-pyrimidinyl)amino]ethanol
CID 1840857
3-[(2-Aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366516
3-[(2-Aminopyrimidin-4-yl)amino]propan-1-ol
CID 80771887
3-[(2-Amino-6-chloro-pyrimidin-4-yl)amino]propan-1-ol
CID 500506
2-[(2-Amino-6-fluoropyrimidin-4-yl)amino]ethanol
CID 3776070
2-[(2-Chloropyrimidin-4-yl)amino]ethanol
CID 4737628
3-((2-Chloropyrimidin-4-yl)amino)propan-1-ol
CID 13067039
2,2,2-Trifluoro-1-(pyrimidin-2-ylamino)ethanol
CID 319294
4-[2-(2,2,2-Trifluoroethyl)guanidino]-2-(3-hydroxypropoxy)pyrimidine
CID 20451297
Hydron;1-[2-(4-hydroxybutoxy)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458202
1-[2-(4-Hydroxybutoxy)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458203
1-[2-[2-Hydroxyethyl(methyl)amino]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458210

Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106174483) is 3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is Nc1cc(NCC(F)(F)CO)ncn1.
What is the InChIKey of 3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is SYVCTRJBDXYCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c8-7(9,3-14)2-11-6-1-5(10)12-4-13-6/h1,4,14H,2-3H2,(H3,10,11,12,13).
What are the key properties of 3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 204.18 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106174483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).