N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine

C19H33N5O — CID 170953849

IUPACN-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCOCCCN1CCN(c2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C19H33N5O/c1-16(2)18-14-21-19(22-15-18)24-10-8-23(9-11-24)7-5-12-25-13-6-20-17(3)4/h14-16,20H,3,5-13H2,1-2,4H3
InChIKeySXQBIQBSLFCBKQ-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.25
Rot. Bonds10

About N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine

N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine (PubChem CID 170953849) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine
PubChem CID170953849
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCOCCCN1CCN(c2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C19H33N5O/c1-16(2)18-14-21-19(22-15-18)24-10-8-23(9-11-24)7-5-12-25-13-6-20-17(3)4/h14-16,20H,3,5-13H2,1-2,4H3
InChIKeySXQBIQBSLFCBKQ-UHFFFAOYSA-N
XLogP2.25
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.25
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

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-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine
CID 50948859
5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72873918
5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72920787
(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 95598765
(2S)-1-(dimethylamino)-3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 129619377
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
CID 46835573
2-(2-Methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58228035
(2S)-2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 86327463
(2R)-2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 86327465

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine?
The IUPAC name of N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine (CID 170953849) is N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine?
The canonical SMILES for N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine is C=C(C)NCCOCCCN1CCN(c2ncc(C(C)C)cn2)CC1.
What is the InChIKey of N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine?
The InChIKey is SXQBIQBSLFCBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-16(2)18-14-21-19(22-15-18)24-10-8-23(9-11-24)7-5-12-25-13-6-20-17(3)4/h14-16,20H,3,5-13H2,1-2,4H3.
What are the key properties of N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine?
N-[2-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine has a molecular weight of 347.51 g/mol, XLogP of 2.25, 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-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]ethyl]prop-1-en-2-amine is sourced from PubChem (CID 170953849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).