N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide

C10H14F2N4O — CID 178045620

IUPACN-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide
SMILESC[C@H](Cc1cnc(N)nc1)NC(=O)C(C)(F)F
InChIInChI=1S/C10H14F2N4O/c1-6(16-8(17)10(2,11)12)3-7-4-14-9(13)15-5-7/h4-6H,3H2,1-2H3,(H,16,17)(H2,13,14,15)/t6-/m1/s1
InChIKeyXJAVWCFESCQJHG-ZCFIWIBFSA-N
MW244.25 g/mol
LogP0.76
Rot. Bonds4

About N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide

N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide (PubChem CID 178045620) has the molecular formula C10H14F2N4O and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide
PubChem CID178045620
Molecular FormulaC10H14F2N4O
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC NameN-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide
SMILESC[C@H](Cc1cnc(N)nc1)NC(=O)C(C)(F)F
InChIInChI=1S/C10H14F2N4O/c1-6(16-8(17)10(2,11)12)3-7-4-14-9(13)15-5-7/h4-6H,3H2,1-2H3,(H,16,17)(H2,13,14,15)/t6-/m1/s1
InChIKeyXJAVWCFESCQJHG-ZCFIWIBFSA-N
XLogP0.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N~3~-(2-amino-5-ethylpyrimidin-4-yl)-N~1~-cyclohexyl-beta-alaninamide
CID 72865900
N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide
CID 162657491
4,4,4-Trifluoro-1-(4-pyrimidin-5-yl-1-piperidyl)butan-1-one
CID 137509106
3-(Pyrimidin-5-yl)propanamide
CID 91363418
(2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide
CID 97207519
N-(1-propionylpiperidin-4-yl)-5-propylpyrimidin-2-amine
CID 124207034
3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
CID 164637606
N-[(1S)-1-cyclohexylpropyl]-2-pyrimidin-5-ylacetamide
CID 164640735
1-[4-[5-[2-Amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 58228454
4-[2-Amino-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperazin-2-one
CID 68364734
4-[2-(Trifluoromethyl)pyrimidin-5-yl]piperidin-2-one
CID 76673371
5-(2-Aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 87573940

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide?
The IUPAC name of N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide (CID 178045620) is N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide?
The canonical SMILES for N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide is C[C@H](Cc1cnc(N)nc1)NC(=O)C(C)(F)F.
What is the InChIKey of N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide?
The InChIKey is XJAVWCFESCQJHG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-6(16-8(17)10(2,11)12)3-7-4-14-9(13)15-5-7/h4-6H,3H2,1-2H3,(H,16,17)(H2,13,14,15)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide?
N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide has a molecular weight of 244.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-aminopyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide is sourced from PubChem (CID 178045620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).