4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine

C23H26N6 — CID 91085698

IUPAC4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCc1cc(-c2ccnc(NC(C)c3ccccc3)c2)nc(N2CC3C[C@H]2CN3)n1
InChIInChI=1S/C23H26N6/c1-15-10-21(28-23(26-15)29-14-19-12-20(29)13-25-19)18-8-9-24-22(11-18)27-16(2)17-6-4-3-5-7-17/h3-11,16,19-20,25H,12-14H2,1-2H3,(H,24,27)/t16?,19?,20-/m0/s1
InChIKeyBPVKLTMPFYRYCP-GQOXECLESA-N
MW386.50 g/mol
LogP3.57
Rot. Bonds5

About 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine

4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine (PubChem CID 91085698) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine
PubChem CID91085698
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCc1cc(-c2ccnc(NC(C)c3ccccc3)c2)nc(N2CC3C[C@H]2CN3)n1
InChIInChI=1S/C23H26N6/c1-15-10-21(28-23(26-15)29-14-19-12-20(29)13-25-19)18-8-9-24-22(11-18)27-16(2)17-6-4-3-5-7-17/h3-11,16,19-20,25H,12-14H2,1-2H3,(H,24,27)/t16?,19?,20-/m0/s1
InChIKeyBPVKLTMPFYRYCP-GQOXECLESA-N
XLogP3.57
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine with MolForge

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Related Compounds

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CID 5164
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CID 10297043
L-790070
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Crozbaciclib
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4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
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Jnj-38893777
CID 16742146
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
The IUPAC name of 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine (CID 91085698) is 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
The canonical SMILES for 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine is Cc1cc(-c2ccnc(NC(C)c3ccccc3)c2)nc(N2CC3C[C@H]2CN3)n1.
What is the InChIKey of 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
The InChIKey is BPVKLTMPFYRYCP-GQOXECLESA-N. The full InChI is InChI=1S/C23H26N6/c1-15-10-21(28-23(26-15)29-14-19-12-20(29)13-25-19)18-8-9-24-22(11-18)27-16(2)17-6-4-3-5-7-17/h3-11,16,19-20,25H,12-14H2,1-2H3,(H,24,27)/t16?,19?,20-/m0/s1.
What are the key properties of 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine?
4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine has a molecular weight of 386.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 91085698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).