N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen

C18H35N5O — CID 155741251

IUPACN-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen
SMILESCCc1cnc(N2CCN(CCCOCCNC(C)C)CC2)nc1.[H][H]
InChIInChI=1S/C18H33N5O.H2/c1-4-17-14-20-18(21-15-17)23-10-8-22(9-11-23)7-5-12-24-13-6-19-16(2)3;/h14-16,19H,4-13H2,1-3H3;1H
InChIKeyXFKKNFVGTNRUJZ-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.81
Rot. Bonds10

About N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen

N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen (PubChem CID 155741251) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen
PubChem CID155741251
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC NameN-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen
SMILESCCc1cnc(N2CCN(CCCOCCNC(C)C)CC2)nc1.[H][H]
InChIInChI=1S/C18H33N5O.H2/c1-4-17-14-20-18(21-15-17)23-10-8-22(9-11-23)7-5-12-24-13-6-19-16(2)3;/h14-16,19H,4-13H2,1-3H3;1H
InChIKeyXFKKNFVGTNRUJZ-UHFFFAOYSA-N
XLogP1.81
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.81
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

(2-(Morpholin-4-yl)pyrimidin-5-yl)methanamine
CID 42556097
5-ethyl-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 50959308
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
5-Ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 72936189
5-ethyl-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine
CID 50948859
1-{2-[(5-Ethylpyrimidin-2-YL)amino]ethyl}piperidin-4-OL
CID 72856377
5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72873918
5-ethyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72902480
5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72920787
N-Isopropyl-5-{[4-(2-methoxyethoxy)piperidin-1-YL]methyl}pyrimidin-2-amine
CID 77096201
1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328398

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen?
The IUPAC name of N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen (CID 155741251) is N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen.
What is the SMILES notation for N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen?
The canonical SMILES for N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen is CCc1cnc(N2CCN(CCCOCCNC(C)C)CC2)nc1.[H][H].
What is the InChIKey of N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen?
The InChIKey is XFKKNFVGTNRUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O.H2/c1-4-17-14-20-18(21-15-17)23-10-8-22(9-11-23)7-5-12-24-13-6-19-16(2)3;/h14-16,19H,4-13H2,1-3H3;1H.
What are the key properties of N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen?
N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen has a molecular weight of 337.51 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]propan-2-amine;molecular hydrogen is sourced from PubChem (CID 155741251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).