N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

C25H26N6 — CID 59333727

IUPACN-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCc1nccn1-c1ccc(Nc2nc3c(c(C(C)c4ccccc4)n2)CNCC3)cc1
InChIInChI=1S/C25H26N6/c1-17(19-6-4-3-5-7-19)24-22-16-26-13-12-23(22)29-25(30-24)28-20-8-10-21(11-9-20)31-15-14-27-18(31)2/h3-11,14-15,17,26H,12-13,16H2,1-2H3,(H,28,29,30)
InChIKeyHXQYBFFUFOWLLY-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.51
Rot. Bonds5

About N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 59333727) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID59333727
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC NameN-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCc1nccn1-c1ccc(Nc2nc3c(c(C(C)c4ccccc4)n2)CNCC3)cc1
InChIInChI=1S/C25H26N6/c1-17(19-6-4-3-5-7-19)24-22-16-26-13-12-23(22)29-25(30-24)28-20-8-10-21(11-9-20)31-15-14-27-18(31)2/h3-11,14-15,17,26H,12-13,16H2,1-2H3,(H,28,29,30)
InChIKeyHXQYBFFUFOWLLY-UHFFFAOYSA-N
XLogP4.51
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 59333727) is N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is Cc1nccn1-c1ccc(Nc2nc3c(c(C(C)c4ccccc4)n2)CNCC3)cc1.
What is the InChIKey of N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is HXQYBFFUFOWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-17(19-6-4-3-5-7-19)24-22-16-26-13-12-23(22)29-25(30-24)28-20-8-10-21(11-9-20)31-15-14-27-18(31)2/h3-11,14-15,17,26H,12-13,16H2,1-2H3,(H,28,29,30).
What are the key properties of N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 410.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylimidazol-1-yl)phenyl]-4-(1-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 59333727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).