N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine

C7H9F2N3O — CID 130543368

IUPACN-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cncnc1NCC(F)F
InChIInChI=1S/C7H9F2N3O/c1-13-5-2-10-4-12-7(5)11-3-6(8)9/h2,4,6H,3H2,1H3,(H,10,11,12)
InChIKeyPBLWEPRQAKJADM-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.16
Rot. Bonds4

About N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine

N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine (PubChem CID 130543368) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
PubChem CID130543368
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC NameN-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cncnc1NCC(F)F
InChIInChI=1S/C7H9F2N3O/c1-13-5-2-10-4-12-7(5)11-3-6(8)9/h2,4,6H,3H2,1H3,(H,10,11,12)
InChIKeyPBLWEPRQAKJADM-UHFFFAOYSA-N
XLogP1.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-5-methoxypyrimidin-4-amine
CID 130543427
2-chloro-N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
CID 169119413
2-[(5-methoxypyrimidin-4-yl)amino]acetamide
CID 130543339
5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 83834199
N-(5-methoxypyrimidin-4-yl)prop-2-enamide
CID 166406889
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine
CID 167927874
N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine
CID 163343585
N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine
CID 3233283
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 66341943

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine (CID 130543368) is N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine is COc1cncnc1NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine?
The InChIKey is PBLWEPRQAKJADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-13-5-2-10-4-12-7(5)11-3-6(8)9/h2,4,6H,3H2,1H3,(H,10,11,12).
What are the key properties of N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine?
N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine has a molecular weight of 189.17 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 130543368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).