6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

C10H14ClN3O2 — CID 82749328

IUPAC6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1N(C)C1CCOC1
InChIInChI=1S/C10H14ClN3O2/c1-14(7-3-4-16-5-7)10-8(15-2)9(11)12-6-13-10/h6-7H,3-5H2,1-2H3
InChIKeyONTLZQCHZDHGPL-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.36
Rot. Bonds3

About 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 82749328) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID82749328
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1N(C)C1CCOC1
InChIInChI=1S/C10H14ClN3O2/c1-14(7-3-4-16-5-7)10-8(15-2)9(11)12-6-13-10/h6-7H,3-5H2,1-2H3
InChIKeyONTLZQCHZDHGPL-UHFFFAOYSA-N
XLogP1.36
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (CID 82749328) is 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is COc1c(Cl)ncnc1N(C)C1CCOC1.
What is the InChIKey of 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is ONTLZQCHZDHGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-14(7-3-4-16-5-7)10-8(15-2)9(11)12-6-13-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 243.69 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 82749328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).