4-N-butyl-5-ethoxypyrimidine-2,4-diamine

C10H18N4O — CID 70856441

IUPAC4-N-butyl-5-ethoxypyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCC
InChIInChI=1S/C10H18N4O/c1-3-5-6-12-9-8(15-4-2)7-13-10(11)14-9/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyBLTKEAHZDHOYST-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.67
Rot. Bonds6

About 4-N-butyl-5-ethoxypyrimidine-2,4-diamine

4-N-butyl-5-ethoxypyrimidine-2,4-diamine (PubChem CID 70856441) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-N-butyl-5-ethoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-ethoxypyrimidine-2,4-diamine
PubChem CID70856441
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-N-butyl-5-ethoxypyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCC
InChIInChI=1S/C10H18N4O/c1-3-5-6-12-9-8(15-4-2)7-13-10(11)14-9/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyBLTKEAHZDHOYST-UHFFFAOYSA-N
XLogP1.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(S)-5-(azetidin-2-ylmethoxy)pyrimidine
CID 10464674
5-Methoxypyrimidin-4-amine
CID 817704
2-Amino-5-methoxypyrimidine
CID 2305244
5-Methoxy-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129175
(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 70856437
4-N-butyl-5-propan-2-yloxypyrimidine-2,4-diamine
CID 70856469
(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856471
(3S)-3-[(2-amino-5-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 70856477
(2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 70856481
4-Pyrimidinamine, 2,5-dimethoxy-
CID 250370
5-(1-Methyl-pyrrolidin-3-yloxy)-pyrimidine
CID 44325618
4-N-(2-cyclopropylethyl)-5-methoxypyrimidine-2,4-diamine
CID 70856123

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-ethoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-ethoxypyrimidine-2,4-diamine (CID 70856441) is 4-N-butyl-5-ethoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-ethoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-ethoxypyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1OCC.
What is the InChIKey of 4-N-butyl-5-ethoxypyrimidine-2,4-diamine?
The InChIKey is BLTKEAHZDHOYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-5-6-12-9-8(15-4-2)7-13-10(11)14-9/h7H,3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-butyl-5-ethoxypyrimidine-2,4-diamine?
4-N-butyl-5-ethoxypyrimidine-2,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-ethoxypyrimidine-2,4-diamine is sourced from PubChem (CID 70856441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).