[1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol

C9H12F2N4O — CID 167426193

IUPAC[1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol
SMILESNc1ccnc(N2CC(CO)C(F)(F)C2)n1
InChIInChI=1S/C9H12F2N4O/c10-9(11)5-15(3-6(9)4-16)8-13-2-1-7(12)14-8/h1-2,6,16H,3-5H2,(H2,12,13,14)
InChIKeyALRYSZMTICUCFD-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.12
Rot. Bonds2

About [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol

[1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol (PubChem CID 167426193) has the molecular formula C9H12F2N4O and a molecular weight of 230.22 g/mol. Its IUPAC name is [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol
PubChem CID167426193
Molecular FormulaC9H12F2N4O
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name[1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol
SMILESNc1ccnc(N2CC(CO)C(F)(F)C2)n1
InChIInChI=1S/C9H12F2N4O/c10-9(11)5-15(3-6(9)4-16)8-13-2-1-7(12)14-8/h1-2,6,16H,3-5H2,(H2,12,13,14)
InChIKeyALRYSZMTICUCFD-UHFFFAOYSA-N
XLogP0.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 80771887
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CID 70706860
[(3R*,4R*)-1-(2-amino-4-pyrimidinyl)-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72890329
[4-Amino-1-(pyrimidin-2-YL)pyrrolidin-3-YL]methanol
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5-(4-Aminopyrimidin-2-yl)-5,5-difluoropentan-1-ol
CID 177850288
2-[{[(3R*,4R*)-1-(4-amino-2-pyrimidinyl)-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(ethyl)amino]ethanol
CID 72934826
(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
N-{[1-(3-Methoxypropyl)pyrrolidin-3-YL]methyl}pyrimidin-4-amine
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2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
CID 97319690
N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-[2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]ethanamine
CID 171359643
[1-[[4-(Hydroxymethyl)-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 171359657
4-[2-(2,2,2-Trifluoroethyl)guanidino]-2-(3-hydroxypropoxy)pyrimidine
CID 20451297

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol (CID 167426193) is [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol is Nc1ccnc(N2CC(CO)C(F)(F)C2)n1.
What is the InChIKey of [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol?
The InChIKey is ALRYSZMTICUCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O/c10-9(11)5-15(3-6(9)4-16)8-13-2-1-7(12)14-8/h1-2,6,16H,3-5H2,(H2,12,13,14).
What are the key properties of [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol?
[1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol has a molecular weight of 230.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminopyrimidin-2-yl)-4,4-difluoropyrrolidin-3-yl]methanol is sourced from PubChem (CID 167426193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).