N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine

C18H26N6 — CID 56789843

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NCC2CN(C)CCN2C)c1C
InChIInChI=1S/C18H26N6/c1-13-14(2)21-18(15-5-7-19-8-6-15)22-17(13)20-11-16-12-23(3)9-10-24(16)4/h5-8,16H,9-12H2,1-4H3,(H,20,21,22)
InChIKeySSTHGGHRWUEUPU-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.81
Rot. Bonds4

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 56789843) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID56789843
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NCC2CN(C)CCN2C)c1C
InChIInChI=1S/C18H26N6/c1-13-14(2)21-18(15-5-7-19-8-6-15)22-17(13)20-11-16-12-23(3)9-10-24(16)4/h5-8,16H,9-12H2,1-4H3,(H,20,21,22)
InChIKeySSTHGGHRWUEUPU-UHFFFAOYSA-N
XLogP1.81
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133399802
5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 56768152
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 113234222
3-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridazine-4-carbonitrile
CID 80509844
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 63897136
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 115415736
3-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114287604
5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449348
6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 80968202
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80819515

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine (CID 56789843) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is Cc1nc(-c2ccncc2)nc(NCC2CN(C)CCN2C)c1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is SSTHGGHRWUEUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-13-14(2)21-18(15-5-7-19-8-6-15)22-17(13)20-11-16-12-23(3)9-10-24(16)4/h5-8,16H,9-12H2,1-4H3,(H,20,21,22).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56789843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).