6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C16H20ClN3O — CID 841304

IUPAC6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc(Cl)c1Cc1ccc(OC)cc1
InChIInChI=1S/C16H20ClN3O/c1-4-20(5-2)16-14(15(17)18-11-19-16)10-12-6-8-13(21-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3
InChIKeyMDLPNJLNNSNRSU-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.58
Rot. Bonds6

About 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 841304) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID841304
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCCN(CC)c1ncnc(Cl)c1Cc1ccc(OC)cc1
InChIInChI=1S/C16H20ClN3O/c1-4-20(5-2)16-14(15(17)18-11-19-16)10-12-6-8-13(21-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3
InChIKeyMDLPNJLNNSNRSU-UHFFFAOYSA-N
XLogP3.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 841304) is 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is CCN(CC)c1ncnc(Cl)c1Cc1ccc(OC)cc1.
What is the InChIKey of 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is MDLPNJLNNSNRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-20(5-2)16-14(15(17)18-11-19-16)10-12-6-8-13(21-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-5-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 841304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).