ethane;N-ethylpyrimidin-4-amine

C8H15N3 — CID 167491074

IUPACethane;N-ethylpyrimidin-4-amine
SMILESCC.CCNc1ccncn1
InChIInChI=1S/C6H9N3.C2H6/c1-2-8-6-3-4-7-5-9-6;1-2/h3-5H,2H2,1H3,(H,7,8,9);1-2H3
InChIKeyAEGUFBISLBBHPX-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.93
Rot. Bonds2

About ethane;N-ethylpyrimidin-4-amine

ethane;N-ethylpyrimidin-4-amine (PubChem CID 167491074) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is ethane;N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Nameethane;N-ethylpyrimidin-4-amine
PubChem CID167491074
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Nameethane;N-ethylpyrimidin-4-amine
SMILESCC.CCNc1ccncn1
InChIInChI=1S/C6H9N3.C2H6/c1-2-8-6-3-4-7-5-9-6;1-2/h3-5H,2H2,1H3,(H,7,8,9);1-2H3
InChIKeyAEGUFBISLBBHPX-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
N-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 106900112
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055
N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
CID 106286880
3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
CID 106287831
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63966158
2-[(pyrimidin-4-ylamino)methyl]butanoic acid
CID 65226291
2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine
CID 64550109
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 80888853
N-(4-chloropentyl)pyrimidin-4-amine
CID 106124684

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylpyrimidin-4-amine?
The IUPAC name of ethane;N-ethylpyrimidin-4-amine (CID 167491074) is ethane;N-ethylpyrimidin-4-amine.
What is the SMILES notation for ethane;N-ethylpyrimidin-4-amine?
The canonical SMILES for ethane;N-ethylpyrimidin-4-amine is CC.CCNc1ccncn1.
What is the InChIKey of ethane;N-ethylpyrimidin-4-amine?
The InChIKey is AEGUFBISLBBHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C2H6/c1-2-8-6-3-4-7-5-9-6;1-2/h3-5H,2H2,1H3,(H,7,8,9);1-2H3.
What are the key properties of ethane;N-ethylpyrimidin-4-amine?
ethane;N-ethylpyrimidin-4-amine has a molecular weight of 153.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylpyrimidin-4-amine is sourced from PubChem (CID 167491074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).