5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine

C15H18ClN5O — CID 68911969

IUPAC5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccc(Cl)c2)c(NCC2CNCCO2)n1
InChIInChI=1S/C15H18ClN5O/c16-11-3-1-2-10(6-11)13-9-20-15(17)21-14(13)19-8-12-7-18-4-5-22-12/h1-3,6,9,12,18H,4-5,7-8H2,(H3,17,19,20,21)
InChIKeyKLKAHWOSPCDQSQ-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.78
Rot. Bonds4

About 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine

5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 68911969) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID68911969
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccc(Cl)c2)c(NCC2CNCCO2)n1
InChIInChI=1S/C15H18ClN5O/c16-11-3-1-2-10(6-11)13-9-20-15(17)21-14(13)19-8-12-7-18-4-5-22-12/h1-3,6,9,12,18H,4-5,7-8H2,(H3,17,19,20,21)
InChIKeyKLKAHWOSPCDQSQ-UHFFFAOYSA-N
XLogP1.78
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine (CID 68911969) is 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(-c2cccc(Cl)c2)c(NCC2CNCCO2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is KLKAHWOSPCDQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c16-11-3-1-2-10(6-11)13-9-20-15(17)21-14(13)19-8-12-7-18-4-5-22-12/h1-3,6,9,12,18H,4-5,7-8H2,(H3,17,19,20,21).
What are the key properties of 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine?
5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 319.80 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68911969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).