3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine

C14H25N5 — CID 43312455

IUPAC3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCCC(C)C(CN)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H25N5/c1-3-12(2)13(11-15)18-7-9-19(10-8-18)14-16-5-4-6-17-14/h4-6,12-13H,3,7-11,15H2,1-2H3
InChIKeyHTZBGURVLVUARG-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.97
Rot. Bonds5

About 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine

3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine (PubChem CID 43312455) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
PubChem CID43312455
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCCC(C)C(CN)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H25N5/c1-3-12(2)13(11-15)18-7-9-19(10-8-18)14-16-5-4-6-17-14/h4-6,12-13H,3,7-11,15H2,1-2H3
InChIKeyHTZBGURVLVUARG-UHFFFAOYSA-N
XLogP0.97
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
CID 43175017
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609
1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
CID 70202660
4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
CID 66428194
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
CID 156639658

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine (CID 43312455) is 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine is CCC(C)C(CN)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine?
The InChIKey is HTZBGURVLVUARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-12(2)13(11-15)18-7-9-19(10-8-18)14-16-5-4-6-17-14/h4-6,12-13H,3,7-11,15H2,1-2H3.
What are the key properties of 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine?
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine has a molecular weight of 263.39 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 43312455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).