2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine

C14H25N5 — CID 55070558

IUPAC2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H25N5/c1-14(2,3)17-7-8-18-9-11-19(12-10-18)13-15-5-4-6-16-13/h4-6,17H,7-12H2,1-3H3
InChIKeySXODRPHOOGAGQE-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.99
Rot. Bonds4

About 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine

2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine (PubChem CID 55070558) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
PubChem CID55070558
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H25N5/c1-14(2,3)17-7-8-18-9-11-19(12-10-18)13-15-5-4-6-16-13/h4-6,17H,7-12H2,1-3H3
InChIKeySXODRPHOOGAGQE-UHFFFAOYSA-N
XLogP0.99
TPSA44.29 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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
CID 62575755
1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
CID 120969981
N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
CID 103069092
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969980
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine (CID 55070558) is 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine is CC(C)(C)NCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine?
The InChIKey is SXODRPHOOGAGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-14(2,3)17-7-8-18-9-11-19(12-10-18)13-15-5-4-6-16-13/h4-6,17H,7-12H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine has a molecular weight of 263.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 55070558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).