N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine

C13H19N5 — CID 62575755

IUPACN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19N5/c1-2-4-14-7-8-17-9-11-18(12-10-17)13-15-5-3-6-16-13/h1,3,5-6,14H,4,7-12H2
InChIKeyYZYCMPBVPSVSGD-UHFFFAOYSA-N
MW245.33 g/mol
LogP-0.18
Rot. Bonds5

About N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine (PubChem CID 62575755) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
PubChem CID62575755
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19N5/c1-2-4-14-7-8-17-9-11-18(12-10-17)13-15-5-3-6-16-13/h1,3,5-6,14H,4,7-12H2
InChIKeyYZYCMPBVPSVSGD-UHFFFAOYSA-N
XLogP-0.18
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
1-ethyl-3-prop-2-ynyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 136921962
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]prop-2-yn-1-amine
CID 62574146
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
CID 120969981
1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969980
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine (CID 62575755) is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine is C#CCNCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine?
The InChIKey is YZYCMPBVPSVSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-4-14-7-8-17-9-11-18(12-10-17)13-15-5-3-6-16-13/h1,3,5-6,14H,4,7-12H2.
What are the key properties of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine?
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine has a molecular weight of 245.33 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 62575755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).