6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine

C10H15ClN4O — CID 155687883

IUPAC6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CNC1CCOCC1
InChIInChI=1S/C10H15ClN4O/c11-9-8(10(12)15-6-14-9)5-13-7-1-3-16-4-2-7/h6-7,13H,1-5H2,(H2,12,14,15)
InChIKeyUVKLPXNYAXOWFF-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.98
Rot. Bonds3

About 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine

6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine (PubChem CID 155687883) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine
PubChem CID155687883
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CNC1CCOCC1
InChIInChI=1S/C10H15ClN4O/c11-9-8(10(12)15-6-14-9)5-13-7-1-3-16-4-2-7/h6-7,13H,1-5H2,(H2,12,14,15)
InChIKeyUVKLPXNYAXOWFF-UHFFFAOYSA-N
XLogP0.98
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine (CID 155687883) is 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine is Nc1ncnc(Cl)c1CNC1CCOCC1.
What is the InChIKey of 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
The InChIKey is UVKLPXNYAXOWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-9-8(10(12)15-6-14-9)5-13-7-1-3-16-4-2-7/h6-7,13H,1-5H2,(H2,12,14,15).
What are the key properties of 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine?
6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine has a molecular weight of 242.71 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(oxan-4-ylamino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 155687883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).