5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine

C20H25N5O2 — CID 127024524

IUPAC5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N
InChIInChI=1S/C20H25N5O2/c1-11(2)27-17-5-13(8-22-19(17)21)16-7-18(24-20(23-16)12-3-4-12)25-9-15-6-14(25)10-26-15/h5,7-8,11-12,14-15H,3-4,6,9-10H2,1-2H3,(H2,21,22)/t14-,15-/m0/s1
InChIKeyOKDLCUWJUVASGN-GJZGRUSLSA-N
MW367.45 g/mol
LogP2.76
Rot. Bonds5

About 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine

5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine (PubChem CID 127024524) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine
PubChem CID127024524
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N
InChIInChI=1S/C20H25N5O2/c1-11(2)27-17-5-13(8-22-19(17)21)16-7-18(24-20(23-16)12-3-4-12)25-9-15-6-14(25)10-26-15/h5,7-8,11-12,14-15H,3-4,6,9-10H2,1-2H3,(H2,21,22)/t14-,15-/m0/s1
InChIKeyOKDLCUWJUVASGN-GJZGRUSLSA-N
XLogP2.76
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine with MolForge

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Related Compounds

Gdc-0134
CID 86298636
US10093664, Example 3
CID 134590089
5-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-pyrimidine
CID 10015970
(1S,5S)-tert-butyl 3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 54585570
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767
N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347174
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 14347182
(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine (CID 127024524) is 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine is CC(C)Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N.
What is the InChIKey of 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine?
The InChIKey is OKDLCUWJUVASGN-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-11(2)27-17-5-13(8-22-19(17)21)16-7-18(24-20(23-16)12-3-4-12)25-9-15-6-14(25)10-26-15/h5,7-8,11-12,14-15H,3-4,6,9-10H2,1-2H3,(H2,21,22)/t14-,15-/m0/s1.
What are the key properties of 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine?
5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine has a molecular weight of 367.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 127024524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).