6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile

C20H25FN6O — CID 164611469

IUPAC6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
SMILESCC(C)(F)c1ncncc1CNc1cc(NC2CCC(O)CC2)c(C#N)cn1
InChIInChI=1S/C20H25FN6O/c1-20(2,21)19-14(9-23-12-26-19)11-25-18-7-17(13(8-22)10-24-18)27-15-3-5-16(28)6-4-15/h7,9-10,12,15-16,28H,3-6,11H2,1-2H3,(H2,24,25,27)
InChIKeyOBGSXFHKYFQXJY-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.28
Rot. Bonds6

About 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile

6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile (PubChem CID 164611469) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
PubChem CID164611469
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
SMILESCC(C)(F)c1ncncc1CNc1cc(NC2CCC(O)CC2)c(C#N)cn1
InChIInChI=1S/C20H25FN6O/c1-20(2,21)19-14(9-23-12-26-19)11-25-18-7-17(13(8-22)10-24-18)27-15-3-5-16(28)6-4-15/h7,9-10,12,15-16,28H,3-6,11H2,1-2H3,(H2,24,25,27)
InChIKeyOBGSXFHKYFQXJY-UHFFFAOYSA-N
XLogP3.28
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile (CID 164611469) is 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile is CC(C)(F)c1ncncc1CNc1cc(NC2CCC(O)CC2)c(C#N)cn1.
What is the InChIKey of 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile?
The InChIKey is OBGSXFHKYFQXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-20(2,21)19-14(9-23-12-26-19)11-25-18-7-17(13(8-22)10-24-18)27-15-3-5-16(28)6-4-15/h7,9-10,12,15-16,28H,3-6,11H2,1-2H3,(H2,24,25,27).
What are the key properties of 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile?
6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile has a molecular weight of 384.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-fluoropropan-2-yl)pyrimidin-5-yl]methylamino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 164611469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).