2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine

C9H11Cl2N3O — CID 79633134

IUPAC2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NC2CCCOC2)n1
InChIInChI=1S/C9H11Cl2N3O/c10-7-4-12-9(11)14-8(7)13-6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H,12,13,14)
InChIKeyOQLDPWZMJDQYJA-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.37
Rot. Bonds2

About 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine

2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine (PubChem CID 79633134) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine
PubChem CID79633134
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NC2CCCOC2)n1
InChIInChI=1S/C9H11Cl2N3O/c10-7-4-12-9(11)14-8(7)13-6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H,12,13,14)
InChIKeyOQLDPWZMJDQYJA-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine
CID 122417179
5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine
CID 79727736
N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
CID 126665328
3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine
CID 130627526
4-chloro-6-(oxan-3-ylamino)pyrimidine-5-carbaldehyde
CID 66366543
N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 126665269
2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79632789
2,5-dichloro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79632221
N-(oxan-3-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106538565
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine (CID 79633134) is 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine is Clc1ncc(Cl)c(NC2CCCOC2)n1.
What is the InChIKey of 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine?
The InChIKey is OQLDPWZMJDQYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c10-7-4-12-9(11)14-8(7)13-6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H,12,13,14).
What are the key properties of 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine?
2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine has a molecular weight of 248.11 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 79633134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).