2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C26H30N8O — CID 154684821

IUPAC2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCOc1ccc(CN2CCN(c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)CC2)cc1
InChIInChI=1S/C26H30N8O/c1-18-14-23(29-24-15-19(2)31-32-24)30-26(28-18)21-6-9-25(27-16-21)34-12-10-33(11-13-34)17-20-4-7-22(35-3)8-5-20/h4-9,14-16H,10-13,17H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyFSWMBXDKKZCUTL-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.95
Rot. Bonds7

About 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 154684821) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID154684821
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCOc1ccc(CN2CCN(c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)CC2)cc1
InChIInChI=1S/C26H30N8O/c1-18-14-23(29-24-15-19(2)31-32-24)30-26(28-18)21-6-9-25(27-16-21)34-12-10-33(11-13-34)17-20-4-7-22(35-3)8-5-20/h4-9,14-16H,10-13,17H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyFSWMBXDKKZCUTL-UHFFFAOYSA-N
XLogP3.95
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 154684821) is 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is COc1ccc(CN2CCN(c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)CC2)cc1.
What is the InChIKey of 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is FSWMBXDKKZCUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-18-14-23(29-24-15-19(2)31-32-24)30-26(28-18)21-6-9-25(27-16-21)34-12-10-33(11-13-34)17-20-4-7-22(35-3)8-5-20/h4-9,14-16H,10-13,17H2,1-3H3,(H2,28,29,30,31,32).
What are the key properties of 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 470.58 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 154684821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).