5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine

C13H25N5 — CID 114139951

IUPAC5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCCN(C)C(C)C
InChIInChI=1S/C13H25N5/c1-5-11-12(14)16-9-17-13(11)15-7-6-8-18(4)10(2)3/h9-10H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyOXSXWKYUBOCWNB-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.76
Rot. Bonds7

About 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine

5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine (PubChem CID 114139951) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
PubChem CID114139951
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCCN(C)C(C)C
InChIInChI=1S/C13H25N5/c1-5-11-12(14)16-9-17-13(11)15-7-6-8-18(4)10(2)3/h9-10H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyOXSXWKYUBOCWNB-UHFFFAOYSA-N
XLogP1.76
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.76
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

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042300
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342
N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043625
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
CID 80833143
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine
CID 82949631
5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine
CID 80826774
6-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]-5-nitropyrimidine-4,6-diamine
CID 106042282
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine
CID 80829852
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162
6-N-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796552

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine (CID 114139951) is 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCCCN(C)C(C)C.
What is the InChIKey of 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
The InChIKey is OXSXWKYUBOCWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-11-12(14)16-9-17-13(11)15-7-6-8-18(4)10(2)3/h9-10H,5-8H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114139951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).