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

C11H17ClN4O — CID 63725252

IUPAC6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine
SMILESCN(CC1CCOCC1)c1ncnc(Cl)c1N
InChIInChI=1S/C11H17ClN4O/c1-16(6-8-2-4-17-5-3-8)11-9(13)10(12)14-7-15-11/h7-8H,2-6,13H2,1H3
InChIKeyDZPWJOROPOHJQQ-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.58
Rot. Bonds3

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

6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 63725252) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine
PubChem CID63725252
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine
SMILESCN(CC1CCOCC1)c1ncnc(Cl)c1N
InChIInChI=1S/C11H17ClN4O/c1-16(6-8-2-4-17-5-3-8)11-9(13)10(12)14-7-15-11/h7-8H,2-6,13H2,1H3
InChIKeyDZPWJOROPOHJQQ-UHFFFAOYSA-N
XLogP1.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine (CID 63725252) is 6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine is CN(CC1CCOCC1)c1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is DZPWJOROPOHJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16(6-8-2-4-17-5-3-8)11-9(13)10(12)14-7-15-11/h7-8H,2-6,13H2,1H3.
What are the key properties of 6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 256.74 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63725252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).