6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine

C14H25N5O — CID 112856838

IUPAC6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(NCCCOC)ncn2)CC1
InChIInChI=1S/C14H25N5O/c1-3-18-6-8-19(9-7-18)14-11-13(16-12-17-14)15-5-4-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyVGBRXRZDIANGMQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.07
Rot. Bonds7

About 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine

6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine (PubChem CID 112856838) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
PubChem CID112856838
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
SMILESCCN1CCN(c2cc(NCCCOC)ncn2)CC1
InChIInChI=1S/C14H25N5O/c1-3-18-6-8-19(9-7-18)14-11-13(16-12-17-14)15-5-4-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyVGBRXRZDIANGMQ-UHFFFAOYSA-N
XLogP1.07
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870
1-[4-[6-(3-methoxypropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112856840
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856883
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858059
4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112856656
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856693
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856701
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine (CID 112856838) is 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine is CCN1CCN(c2cc(NCCCOC)ncn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine?
The InChIKey is VGBRXRZDIANGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-18-6-8-19(9-7-18)14-11-13(16-12-17-14)15-5-4-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine?
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine has a molecular weight of 279.39 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 112856838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).