N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine

C24H29FN4OS — CID 167071727

IUPACN-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(-c2sc(F)cc2CNc2nccc(C(C)C)n2)ccc1OC1CCCCC1
InChIInChI=1S/C24H29FN4OS/c1-15(2)19-11-12-26-24(29-19)27-14-17-13-22(25)31-23(17)20-9-10-21(16(3)28-20)30-18-7-5-4-6-8-18/h9-13,15,18H,4-8,14H2,1-3H3,(H,26,27,29)
InChIKeyQEAQBTIMBMEOBK-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.49
Rot. Bonds7

About N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine

N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine (PubChem CID 167071727) has the molecular formula C24H29FN4OS and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine
PubChem CID167071727
Molecular FormulaC24H29FN4OS
Molecular Weight440.59 g/mol
Exact Mass440.20
IUPAC NameN-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine
SMILESCc1nc(-c2sc(F)cc2CNc2nccc(C(C)C)n2)ccc1OC1CCCCC1
InChIInChI=1S/C24H29FN4OS/c1-15(2)19-11-12-26-24(29-19)27-14-17-13-22(25)31-23(17)20-9-10-21(16(3)28-20)30-18-7-5-4-6-8-18/h9-13,15,18H,4-8,14H2,1-3H3,(H,26,27,29)
InChIKeyQEAQBTIMBMEOBK-UHFFFAOYSA-N
XLogP6.49
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine (CID 167071727) is N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine is Cc1nc(-c2sc(F)cc2CNc2nccc(C(C)C)n2)ccc1OC1CCCCC1.
What is the InChIKey of N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine?
The InChIKey is QEAQBTIMBMEOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4OS/c1-15(2)19-11-12-26-24(29-19)27-14-17-13-22(25)31-23(17)20-9-10-21(16(3)28-20)30-18-7-5-4-6-8-18/h9-13,15,18H,4-8,14H2,1-3H3,(H,26,27,29).
What are the key properties of N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine?
N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine has a molecular weight of 440.59 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-fluorothiophen-3-yl]methyl]-4-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 167071727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).