N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C18H20N8 — CID 112860589

IUPACN-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(CNc2cc(N3CCN(c4ncccn4)CC3)ncn2)nc1
InChIInChI=1S/C18H20N8/c1-2-5-19-15(4-1)13-22-16-12-17(24-14-23-16)25-8-10-26(11-9-25)18-20-6-3-7-21-18/h1-7,12,14H,8-11,13H2,(H,22,23,24)
InChIKeyYIXNJZXDPCAUDT-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.60
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112860589) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112860589
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC NameN-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(CNc2cc(N3CCN(c4ncccn4)CC3)ncn2)nc1
InChIInChI=1S/C18H20N8/c1-2-5-19-15(4-1)13-22-16-12-17(24-14-23-16)25-8-10-26(11-9-25)18-20-6-3-7-21-18/h1-7,12,14H,8-11,13H2,(H,22,23,24)
InChIKeyYIXNJZXDPCAUDT-UHFFFAOYSA-N
XLogP1.60
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112860583
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
N-(pyridin-3-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860746
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863365
6-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 53015129
N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112857771
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 167810447
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112860589) is N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is c1ccc(CNc2cc(N3CCN(c4ncccn4)CC3)ncn2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is YIXNJZXDPCAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c1-2-5-19-15(4-1)13-22-16-12-17(24-14-23-16)25-8-10-26(11-9-25)18-20-6-3-7-21-18/h1-7,12,14H,8-11,13H2,(H,22,23,24).
What are the key properties of N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112860589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).