5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine

C15H27N5O — CID 80773073

IUPAC5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-5-17-15-18-12-13(2)14(19-15)16-6-4-7-20-8-10-21-11-9-20/h12H,3-11H2,1-2H3,(H2,16,17,18,19)
InChIKeyVJPZHIYCEMPLRM-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.74
Rot. Bonds8

About 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine

5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80773073) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80773073
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-5-17-15-18-12-13(2)14(19-15)16-6-4-7-20-8-10-21-11-9-20/h12H,3-11H2,1-2H3,(H2,16,17,18,19)
InChIKeyVJPZHIYCEMPLRM-UHFFFAOYSA-N
XLogP1.74
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831891
5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80777687
5-bromo-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80776953
azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 91085436
N-(3-morpholin-4-ylpropyl)-2-propylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141189467
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
2-N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117088626
5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 117092137
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
2-N-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327612

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine (CID 80773073) is 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(NCCCN2CCOCC2)n1.
What is the InChIKey of 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VJPZHIYCEMPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-5-17-15-18-12-13(2)14(19-15)16-6-4-7-20-8-10-21-11-9-20/h12H,3-11H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine?
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 293.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80773073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).