2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine

C20H20ClFN6O2 — CID 25026692

IUPAC2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1
InChIInChI=1S/C20H20ClFN6O2/c1-12-8-13(21)2-3-16(12)30-18-9-17(25-11-26-18)28-6-4-14(5-7-28)29-20-24-10-15(22)19(23)27-20/h2-3,8-11,14H,4-7H2,1H3,(H2,23,24,27)
InChIKeyBQSRSVIDXMZSEP-UHFFFAOYSA-N
MW430.87 g/mol
LogP3.79
Rot. Bonds5

About 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine

2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine (PubChem CID 25026692) has the molecular formula C20H20ClFN6O2 and a molecular weight of 430.87 g/mol. Its IUPAC name is 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
PubChem CID25026692
Molecular FormulaC20H20ClFN6O2
Molecular Weight430.87 g/mol
Exact Mass430.13
IUPAC Name2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1
InChIInChI=1S/C20H20ClFN6O2/c1-12-8-13(21)2-3-16(12)30-18-9-17(25-11-26-18)28-6-4-14(5-7-28)29-20-24-10-15(22)19(23)27-20/h2-3,8-11,14H,4-7H2,1H3,(H2,23,24,27)
InChIKeyBQSRSVIDXMZSEP-UHFFFAOYSA-N
XLogP3.79
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine with MolForge

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Related Compounds

2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
CID 46879856
2-(6-(4-(4-Aminopyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
CID 46879893
2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)pyrimidin-4-yloxy)benzonitrile
CID 46879753
2-(1-(6-(2-Ethylphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026090
5-Fluoro-2-(1-(6-(4-methoxyphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 25026491
2-(1-(6-(3-Chlorophenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026493
2-(1-(6-(2-Chlorophenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026495
2-(1-(6-(4-Chlorophenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026689
2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)-5-methoxybenzonitrile
CID 45375949
5-Fluoro-2-(1-(6-phenoxypyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 46879633
5-Fluoro-2-(1-(6-(2-methoxyphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 46879671
5-Fluoro-2-(1-(6-(p-tolyloxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 46879672

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine (CID 25026692) is 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine is Cc1cc(Cl)ccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1.
What is the InChIKey of 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine?
The InChIKey is BQSRSVIDXMZSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN6O2/c1-12-8-13(21)2-3-16(12)30-18-9-17(25-11-26-18)28-6-4-14(5-7-28)29-20-24-10-15(22)19(23)27-20/h2-3,8-11,14H,4-7H2,1H3,(H2,23,24,27).
What are the key properties of 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine?
2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine has a molecular weight of 430.87 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 25026692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).