N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine

C10H13F2N3O2 — CID 136542373

IUPACN-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CC(F)(F)C2)n1
InChIInChI=1S/C10H13F2N3O2/c1-16-7-3-8(17-2)15-9(14-7)13-6-4-10(11,12)5-6/h3,6H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyCSMYFVQUQSDPFE-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.70
Rot. Bonds4

About N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine

N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 136542373) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID136542373
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC NameN-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CC(F)(F)C2)n1
InChIInChI=1S/C10H13F2N3O2/c1-16-7-3-8(17-2)15-9(14-7)13-6-4-10(11,12)5-6/h3,6H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyCSMYFVQUQSDPFE-UHFFFAOYSA-N
XLogP1.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4,6-dimethoxypyrimidine
CID 118946
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 676475
4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 44577443
4-Methoxy-6-(2,2,2-trifluoroethoxy)-2-pyrimidinamine
CID 3109473
4,6-Bis(difluoromethoxy)pyrimidin-2-amine
CID 13491823
N-Cyclohexyl-4-fluoro-6-methoxy-2-pyrimidinamine
CID 14717234
4,6-Dimethoxy(~15~N_2_)pyrimidin-2-(~15~N)amine
CID 71309698
4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine
CID 132970552
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4,6-dimethoxypyrimidin-2-amine
CID 164638252
4,6-Bis(fluoromethoxy)pyrimidin-2-amine
CID 53406504
4-Difluoromethoxy-6-methoxypyrimidin-2-amine
CID 14695654

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine (CID 136542373) is N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NC2CC(F)(F)C2)n1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is CSMYFVQUQSDPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-16-7-3-8(17-2)15-9(14-7)13-6-4-10(11,12)5-6/h3,6H,4-5H2,1-2H3,(H,13,14,15).
What are the key properties of N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine?
N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 245.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 136542373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).