5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine

C15H19N5O — CID 66637304

IUPAC5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccc(CN3CCOCC3)c2)c(N)n1
InChIInChI=1S/C15H19N5O/c16-14-13(9-18-15(17)19-14)12-3-1-2-11(8-12)10-20-4-6-21-7-5-20/h1-3,8-9H,4-7,10H2,(H4,16,17,18,19)
InChIKeySUNBRFABIYFXQH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.14
Rot. Bonds3

About 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine

5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 66637304) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID66637304
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccc(CN3CCOCC3)c2)c(N)n1
InChIInChI=1S/C15H19N5O/c16-14-13(9-18-15(17)19-14)12-3-1-2-11(8-12)10-20-4-6-21-7-5-20/h1-3,8-9H,4-7,10H2,(H4,16,17,18,19)
InChIKeySUNBRFABIYFXQH-UHFFFAOYSA-N
XLogP1.14
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine (CID 66637304) is 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine is Nc1ncc(-c2cccc(CN3CCOCC3)c2)c(N)n1.
What is the InChIKey of 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is SUNBRFABIYFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-14-13(9-18-15(17)19-14)12-3-1-2-11(8-12)10-20-4-6-21-7-5-20/h1-3,8-9H,4-7,10H2,(H4,16,17,18,19).
What are the key properties of 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine?
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 285.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 66637304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).