6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine

C10H15ClN4O — CID 22309560

IUPAC6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCC1CCOCC1
InChIInChI=1S/C10H15ClN4O/c11-9-8(12)10(15-6-14-9)13-5-7-1-3-16-4-2-7/h6-7H,1-5,12H2,(H,13,14,15)
InChIKeyXSKUVJLJZQSQFJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.55
Rot. Bonds3

About 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine

6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 22309560) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine
PubChem CID22309560
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCC1CCOCC1
InChIInChI=1S/C10H15ClN4O/c11-9-8(12)10(15-6-14-9)13-5-7-1-3-16-4-2-7/h6-7H,1-5,12H2,(H,13,14,15)
InChIKeyXSKUVJLJZQSQFJ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine (CID 22309560) is 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine is Nc1c(Cl)ncnc1NCC1CCOCC1.
What is the InChIKey of 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is XSKUVJLJZQSQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-9-8(12)10(15-6-14-9)13-5-7-1-3-16-4-2-7/h6-7H,1-5,12H2,(H,13,14,15).
What are the key properties of 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 242.71 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22309560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).