[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

C14H25N5 — CID 62300497

IUPAC[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCCN1CCN(c2cnc(C(C)C)nc2CN)CC1
InChIInChI=1S/C14H25N5/c1-4-18-5-7-19(8-6-18)13-10-16-14(11(2)3)17-12(13)9-15/h10-11H,4-9,15H2,1-3H3
InChIKeyRYJBPOBOPYUEFV-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.20
Rot. Bonds4

About [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 62300497) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID62300497
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCCN1CCN(c2cnc(C(C)C)nc2CN)CC1
InChIInChI=1S/C14H25N5/c1-4-18-5-7-19(8-6-18)13-10-16-14(11(2)3)17-12(13)9-15/h10-11H,4-9,15H2,1-3H3
InChIKeyRYJBPOBOPYUEFV-UHFFFAOYSA-N
XLogP1.20
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62298929
N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62280514
[5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 114460749
[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 55059469
1-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]azocane
CID 62088333
[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295234
[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62299989
4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine
CID 63635722
[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63635364
[5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63970979
[5-(2-piperidin-1-ylethoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297532
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 62300497) is [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is CCN1CCN(c2cnc(C(C)C)nc2CN)CC1.
What is the InChIKey of [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is RYJBPOBOPYUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-18-5-7-19(8-6-18)13-10-16-14(11(2)3)17-12(13)9-15/h10-11H,4-9,15H2,1-3H3.
What are the key properties of [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 263.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62300497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).