2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine

C10H13Cl2N3O — CID 89494777

IUPAC2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(Cl)nc1NC1CCOCC1
InChIInChI=1S/C10H13Cl2N3O/c1-6-8(11)14-10(12)15-9(6)13-7-2-4-16-5-3-7/h7H,2-5H2,1H3,(H,13,14,15)
InChIKeyFRBLBTNONHZGMV-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.68
Rot. Bonds2

About 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine

2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 89494777) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID89494777
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(Cl)nc1NC1CCOCC1
InChIInChI=1S/C10H13Cl2N3O/c1-6-8(11)14-10(12)15-9(6)13-7-2-4-16-5-3-7/h7H,2-5H2,1H3,(H,13,14,15)
InChIKeyFRBLBTNONHZGMV-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine (CID 89494777) is 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine is Cc1c(Cl)nc(Cl)nc1NC1CCOCC1.
What is the InChIKey of 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is FRBLBTNONHZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-6-8(11)14-10(12)15-9(6)13-7-2-4-16-5-3-7/h7H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 262.14 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 89494777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).