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

C11H21Cl2N5O — CID 154889452

IUPAC4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
SMILESCCNc1ccnc(NCC2CNCCO2)n1.Cl.Cl
InChIInChI=1S/C11H19N5O.2ClH/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);2*1H
InChIKeyUFQRCKQSLGZUBN-UHFFFAOYSA-N
MW310.23 g/mol
LogP1.15
Rot. Bonds5

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

4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154889452) has the molecular formula C11H21Cl2N5O and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
PubChem CID154889452
Molecular FormulaC11H21Cl2N5O
Molecular Weight310.23 g/mol
Exact Mass309.11
IUPAC Name4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
SMILESCCNc1ccnc(NCC2CNCCO2)n1.Cl.Cl
InChIInChI=1S/C11H19N5O.2ClH/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);2*1H
InChIKeyUFQRCKQSLGZUBN-UHFFFAOYSA-N
XLogP1.15
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
4-N-ethyl-2-N-[[(2R)-morpholin-2-yl]methyl]pyrimidine-2,4-diamine
CID 95131628
6-ethoxy-N-(morpholin-2-ylmethyl)pyridin-2-amine
CID 113287172
4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
CID 15549651
N-(morpholin-2-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 130369631
4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80797541
1-methyl-N-(morpholin-2-ylmethyl)imidazol-2-amine
CID 115324160
4-N-[2-(dimethylamino)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886841
5-methyl-N-(morpholin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113287220
N-(morpholin-2-ylmethyl)-3-propoxypyridin-2-amine
CID 113371141
N-(morpholin-2-ylmethyl)-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 116976020
2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride (CID 154889452) is 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride is CCNc1ccnc(NCC2CNCCO2)n1.Cl.Cl.
What is the InChIKey of 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is UFQRCKQSLGZUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O.2ClH/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);2*1H.
What are the key properties of 4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride?
4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 310.23 g/mol, XLogP of 1.15, 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;dihydrochloride is sourced from PubChem (CID 154889452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).