2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid

C13H21N5O2 — CID 83182057

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CN(C)CCN2C)ncc1C(=O)O
InChIInChI=1S/C13H21N5O2/c1-9-11(12(19)20)7-15-13(16-9)14-6-10-8-17(2)4-5-18(10)3/h7,10H,4-6,8H2,1-3H3,(H,19,20)(H,14,15,16)
InChIKeyYJZMGFMVIQUEFJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.14
Rot. Bonds4

About 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid

2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83182057) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83182057
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CN(C)CCN2C)ncc1C(=O)O
InChIInChI=1S/C13H21N5O2/c1-9-11(12(19)20)7-15-13(16-9)14-6-10-8-17(2)4-5-18(10)3/h7,10H,4-6,8H2,1-3H3,(H,19,20)(H,14,15,16)
InChIKeyYJZMGFMVIQUEFJ-UHFFFAOYSA-N
XLogP0.14
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid (CID 83182057) is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NCC2CN(C)CCN2C)ncc1C(=O)O.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is YJZMGFMVIQUEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9-11(12(19)20)7-15-13(16-9)14-6-10-8-17(2)4-5-18(10)3/h7,10H,4-6,8H2,1-3H3,(H,19,20)(H,14,15,16).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid?
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83182057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).