4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

C16H29N5O — CID 135271014

IUPAC4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCN1CCOCC1
InChIInChI=1S/C16H29N5O/c1-3-4-7-18-15-14(13(2)19-16(17)20-15)6-5-8-21-9-11-22-12-10-21/h3-12H2,1-2H3,(H3,17,18,19,20)
InChIKeyHWKJCSMRNQOSCH-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.84
Rot. Bonds8

About 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 135271014) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
PubChem CID135271014
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCN1CCOCC1
InChIInChI=1S/C16H29N5O/c1-3-4-7-18-15-14(13(2)19-16(17)20-15)6-5-8-21-9-11-22-12-10-21/h3-12H2,1-2H3,(H3,17,18,19,20)
InChIKeyHWKJCSMRNQOSCH-UHFFFAOYSA-N
XLogP1.84
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.84
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

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
5-[3-(azepan-1-yl)propyl]-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 135271008
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-[2-methoxyethyl(methyl)amino]propyl]-6-methylpyrimidine-2,4-diamine
CID 135271018
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-6-methyl-5-(3-thiomorpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271033
Tert-butyl 4-[3-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]piperazine-1-carboxylate
CID 135271035
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
4-N-butyl-6-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271045

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine (CID 135271014) is 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCCN1CCOCC1.
What is the InChIKey of 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is HWKJCSMRNQOSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-3-4-7-18-15-14(13(2)19-16(17)20-15)6-5-8-21-9-11-22-12-10-21/h3-12H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 307.44 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135271014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).