N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine

C14H16ClN3O — CID 174533398

IUPACN-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(Cc1ccccc1)c1cc(Cl)ncn1
InChIInChI=1S/C14H16ClN3O/c1-19-8-7-18(10-12-5-3-2-4-6-12)14-9-13(15)16-11-17-14/h2-6,9,11H,7-8,10H2,1H3
InChIKeyIORHWPOEQYQIAY-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.78
Rot. Bonds6

About N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine

N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 174533398) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID174533398
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(Cc1ccccc1)c1cc(Cl)ncn1
InChIInChI=1S/C14H16ClN3O/c1-19-8-7-18(10-12-5-3-2-4-6-12)14-9-13(15)16-11-17-14/h2-6,9,11H,7-8,10H2,1H3
InChIKeyIORHWPOEQYQIAY-UHFFFAOYSA-N
XLogP2.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine (CID 174533398) is N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine is COCCN(Cc1ccccc1)c1cc(Cl)ncn1.
What is the InChIKey of N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is IORHWPOEQYQIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-19-8-7-18(10-12-5-3-2-4-6-12)14-9-13(15)16-11-17-14/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 174533398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).