6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

C14H22ClN3O — CID 80971304

IUPAC6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(CC)CC2CCCO2)n1
InChIInChI=1S/C14H22ClN3O/c1-4-12-16-13(15)10(3)14(17-12)18(5-2)9-11-7-6-8-19-11/h11H,4-9H2,1-3H3
InChIKeyQDFQJFZSNSLMCI-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.01
Rot. Bonds5

About 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80971304) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID80971304
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(CC)CC2CCCO2)n1
InChIInChI=1S/C14H22ClN3O/c1-4-12-16-13(15)10(3)14(17-12)18(5-2)9-11-7-6-8-19-11/h11H,4-9H2,1-3H3
InChIKeyQDFQJFZSNSLMCI-UHFFFAOYSA-N
XLogP3.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 80971304) is 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(N(CC)CC2CCCO2)n1.
What is the InChIKey of 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QDFQJFZSNSLMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-12-16-13(15)10(3)14(17-12)18(5-2)9-11-7-6-8-19-11/h11H,4-9H2,1-3H3.
What are the key properties of 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80971304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).