4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine

C13H22N6O — CID 117093770

IUPAC4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
SMILESNc1nc(NCCN2CCOCC2)cc(NC2CC2)n1
InChIInChI=1S/C13H22N6O/c14-13-17-11(9-12(18-13)16-10-1-2-10)15-3-4-19-5-7-20-8-6-19/h9-10H,1-8H2,(H4,14,15,16,17,18)
InChIKeyIFBFXTMUICIJEI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.38
Rot. Bonds6

About 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine

4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine (PubChem CID 117093770) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
PubChem CID117093770
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
SMILESNc1nc(NCCN2CCOCC2)cc(NC2CC2)n1
InChIInChI=1S/C13H22N6O/c14-13-17-11(9-12(18-13)16-10-1-2-10)15-3-4-19-5-7-20-8-6-19/h9-10H,1-8H2,(H4,14,15,16,17,18)
InChIKeyIFBFXTMUICIJEI-UHFFFAOYSA-N
XLogP0.38
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
4-[2-[[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086809
6-(3-aminocyclobutyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 91792566
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882231
2-cyclopropyl-6-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80956267
4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423060
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol
CID 135433099
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869998
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117084092
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine (CID 117093770) is 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine is Nc1nc(NCCN2CCOCC2)cc(NC2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine?
The InChIKey is IFBFXTMUICIJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c14-13-17-11(9-12(18-13)16-10-1-2-10)15-3-4-19-5-7-20-8-6-19/h9-10H,1-8H2,(H4,14,15,16,17,18).
What are the key properties of 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine?
4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine has a molecular weight of 278.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 117093770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).