6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine

C12H19ClN4O — CID 164917321

IUPAC6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine
SMILESCNc1nc(C)nc(Cl)c1CNC1CCOCC1
InChIInChI=1S/C12H19ClN4O/c1-8-16-11(13)10(12(14-2)17-8)7-15-9-3-5-18-6-4-9/h9,15H,3-7H2,1-2H3,(H,14,16,17)
InChIKeyOFRHMBLOHUSSER-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.75
Rot. Bonds4

About 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine

6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine (PubChem CID 164917321) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine
PubChem CID164917321
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine
SMILESCNc1nc(C)nc(Cl)c1CNC1CCOCC1
InChIInChI=1S/C12H19ClN4O/c1-8-16-11(13)10(12(14-2)17-8)7-15-9-3-5-18-6-4-9/h9,15H,3-7H2,1-2H3,(H,14,16,17)
InChIKeyOFRHMBLOHUSSER-UHFFFAOYSA-N
XLogP1.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine (CID 164917321) is 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine is CNc1nc(C)nc(Cl)c1CNC1CCOCC1.
What is the InChIKey of 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
The InChIKey is OFRHMBLOHUSSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8-16-11(13)10(12(14-2)17-8)7-15-9-3-5-18-6-4-9/h9,15H,3-7H2,1-2H3,(H,14,16,17).
What are the key properties of 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine has a molecular weight of 270.76 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 164917321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).