N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine

C16H27N5 — CID 103069092

IUPACN-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H27N5/c1-14(12-19-16(2,3)4)13-20-8-10-21(11-9-20)15-17-6-5-7-18-15/h5-7,19H,1,8-13H2,2-4H3
InChIKeyCWDIPAJXKOPXBB-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.54
Rot. Bonds5

About N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine

N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103069092) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103069092
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H27N5/c1-14(12-19-16(2,3)4)13-20-8-10-21(11-9-20)15-17-6-5-7-18-15/h5-7,19H,1,8-13H2,2-4H3
InChIKeyCWDIPAJXKOPXBB-UHFFFAOYSA-N
XLogP1.54
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine
CID 103071542
[4-[(tert-butylamino)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 59768517
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol
CID 64795801
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
2,6-ditert-butyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 2837847
2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257940

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine (CID 103069092) is N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is CWDIPAJXKOPXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-14(12-19-16(2,3)4)13-20-8-10-21(11-9-20)15-17-6-5-7-18-15/h5-7,19H,1,8-13H2,2-4H3.
What are the key properties of N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 289.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103069092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).