N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine

C22H30N6O2 — CID 118366513

IUPACN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(C)C3(CCCC3)CO4)CC2)ccn1
InChIInChI=1S/C22H30N6O2/c1-27-20-18(30-15-22(27)8-3-4-9-22)14-24-21(26-20)25-16-6-11-28(12-7-16)17-5-10-23-19(13-17)29-2/h5,10,13-14,16H,3-4,6-9,11-12,15H2,1-2H3,(H,24,25,26)
InChIKeyGMXRJIWGWYAKGT-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine

N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine (PubChem CID 118366513) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
PubChem CID118366513
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(C)C3(CCCC3)CO4)CC2)ccn1
InChIInChI=1S/C22H30N6O2/c1-27-20-18(30-15-22(27)8-3-4-9-22)14-24-21(26-20)25-16-6-11-28(12-7-16)17-5-10-23-19(13-17)29-2/h5,10,13-14,16H,3-4,6-9,11-12,15H2,1-2H3,(H,24,25,26)
InChIKeyGMXRJIWGWYAKGT-UHFFFAOYSA-N
XLogP3.10
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine?
The IUPAC name of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine (CID 118366513) is N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine.
What is the SMILES notation for N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine?
The canonical SMILES for N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine is COc1cc(N2CCC(Nc3ncc4c(n3)N(C)C3(CCCC3)CO4)CC2)ccn1.
What is the InChIKey of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine?
The InChIKey is GMXRJIWGWYAKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-27-20-18(30-15-22(27)8-3-4-9-22)14-24-21(26-20)25-16-6-11-28(12-7-16)17-5-10-23-19(13-17)29-2/h5,10,13-14,16H,3-4,6-9,11-12,15H2,1-2H3,(H,24,25,26).
What are the key properties of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine?
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine has a molecular weight of 410.52 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine is sourced from PubChem (CID 118366513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).