N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride

C16H23ClN6 — CID 120910581

IUPACN,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
SMILESCN(C)c1ncc(CN2CCNCC2c2ccncc2)cn1.Cl
InChIInChI=1S/C16H22N6.ClH/c1-21(2)16-19-9-13(10-20-16)12-22-8-7-18-11-15(22)14-3-5-17-6-4-14;/h3-6,9-10,15,18H,7-8,11-12H2,1-2H3;1H
InChIKeyDSJHQYFVHLSAEC-UHFFFAOYSA-N
MW334.86 g/mol
LogP1.51
Rot. Bonds4

About N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride

N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride (PubChem CID 120910581) has the molecular formula C16H23ClN6 and a molecular weight of 334.86 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
PubChem CID120910581
Molecular FormulaC16H23ClN6
Molecular Weight334.86 g/mol
Exact Mass334.17
IUPAC NameN,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
SMILESCN(C)c1ncc(CN2CCNCC2c2ccncc2)cn1.Cl
InChIInChI=1S/C16H22N6.ClH/c1-21(2)16-19-9-13(10-20-16)12-22-8-7-18-11-15(22)14-3-5-17-6-4-14;/h3-6,9-10,15,18H,7-8,11-12H2,1-2H3;1H
InChIKeyDSJHQYFVHLSAEC-UHFFFAOYSA-N
XLogP1.51
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.86
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910252
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910039
1-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910214
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371
N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120910469
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride (CID 120910581) is N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride is CN(C)c1ncc(CN2CCNCC2c2ccncc2)cn1.Cl.
What is the InChIKey of N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride?
The InChIKey is DSJHQYFVHLSAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6.ClH/c1-21(2)16-19-9-13(10-20-16)12-22-8-7-18-11-15(22)14-3-5-17-6-4-14;/h3-6,9-10,15,18H,7-8,11-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride?
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride has a molecular weight of 334.86 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 120910581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).