5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

C10H14ClN3O — CID 75511399

IUPAC5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCOC1)c1ncncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyOYKZBUOZAYBEHE-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.60
Rot. Bonds3

About 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 75511399) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID75511399
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCOC1)c1ncncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyOYKZBUOZAYBEHE-UHFFFAOYSA-N
XLogP1.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 75511399) is 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is CN(CC1CCOC1)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is OYKZBUOZAYBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 75511399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).