4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine

C12H23N5 — CID 80807193

IUPAC4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)CCN(C)C)n1
InChIInChI=1S/C12H23N5/c1-5-13-12-14-8-6-11(16-12)15-10(2)7-9-17(3)4/h6,8,10H,5,7,9H2,1-4H3,(H2,13,14,15,16)
InChIKeyNSDXGDZHCWLFHU-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.66
Rot. Bonds7

About 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine

4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80807193) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80807193
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)CCN(C)C)n1
InChIInChI=1S/C12H23N5/c1-5-13-12-14-8-6-11(16-12)15-10(2)7-9-17(3)4/h6,8,10H,5,7,9H2,1-4H3,(H2,13,14,15,16)
InChIKeyNSDXGDZHCWLFHU-UHFFFAOYSA-N
XLogP1.66
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180272
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 80807099
2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800278
2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80808164
4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771304
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine (CID 80807193) is 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(NC(C)CCN(C)C)n1.
What is the InChIKey of 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is NSDXGDZHCWLFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-13-12-14-8-6-11(16-12)15-10(2)7-9-17(3)4/h6,8,10H,5,7,9H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine?
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80807193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).