4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine

C11H19N5O — CID 50969566

IUPAC4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ccnc(NCC2CNCCO2)n1
InChIInChI=1S/C11H19N5O/c1-2-13-10-3-4-14-11(16-10)15-8-9-7-12-5-6-17-9/h3-4,9,12H,2,5-8H2,1H3,(H2,13,14,15,16)
InChIKeyNMSJRXPUOMZTJF-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.31
Rot. Bonds5

About 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 50969566) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID50969566
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ccnc(NCC2CNCCO2)n1
InChIInChI=1S/C11H19N5O/c1-2-13-10-3-4-14-11(16-10)15-8-9-7-12-5-6-17-9/h3-4,9,12H,2,5-8H2,1H3,(H2,13,14,15,16)
InChIKeyNMSJRXPUOMZTJF-UHFFFAOYSA-N
XLogP0.31
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine (CID 50969566) is 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine is CCNc1ccnc(NCC2CNCCO2)n1.
What is the InChIKey of 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NMSJRXPUOMZTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-13-10-3-4-14-11(16-10)15-8-9-7-12-5-6-17-9/h3-4,9,12H,2,5-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 237.31 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 50969566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).