phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine

C20H32N3OP — CID 170613481

IUPACphosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
SMILESCC(C)c1ncc(C2CCN(C3CC4(CCC4)C3)CC2)cn1.O=CP
InChIInChI=1S/C19H29N3.CH3OP/c1-14(2)18-20-12-16(13-21-18)15-4-8-22(9-5-15)17-10-19(11-17)6-3-7-19;2-1-3/h12-15,17H,3-11H2,1-2H3;1H,3H2
InChIKeyUVGAHXLBLXLWIY-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.16
Rot. Bonds3

About phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine

phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine (PubChem CID 170613481) has the molecular formula C20H32N3OP and a molecular weight of 361.47 g/mol. Its IUPAC name is phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine.

Molecular Properties

Compound Namephosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
PubChem CID170613481
Molecular FormulaC20H32N3OP
Molecular Weight361.47 g/mol
Exact Mass361.23
IUPAC Namephosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
SMILESCC(C)c1ncc(C2CCN(C3CC4(CCC4)C3)CC2)cn1.O=CP
InChIInChI=1S/C19H29N3.CH3OP/c1-14(2)18-20-12-16(13-21-18)15-4-8-22(9-5-15)17-10-19(11-17)6-3-7-19;2-1-3/h12-15,17H,3-11H2,1-2H3;1H,3H2
InChIKeyUVGAHXLBLXLWIY-UHFFFAOYSA-N
XLogP4.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methylpropanal;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
CID 166458947
1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 166458532
1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone
CID 166458469
ethane;2-methyl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine;propanal
CID 170613616
ethane;propanal;2-propan-2-yl-5-(4-spiro[3.3]heptan-2-ylpiperazin-1-yl)pyrimidine
CID 166458569
5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol
CID 166459295
5-[1-[4-(1-iodoethyl)cyclohexyl]piperidin-4-yl]-2-propan-2-ylpyrimidine
CID 170613883
2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane
CID 170613655
1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 166459819
2-methyl-1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
CID 170613507
ethane;5-[1-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]-2-propan-2-yl-1,3-thiazole
CID 170613816
8-[5-(1-ethylpiperidin-4-yl)pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-methyl-1-spiro[3.3]heptan-2-ylpropan-1-one
CID 155740257

Frequently Asked Questions

What is the IUPAC name of phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine?
The IUPAC name of phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine (CID 170613481) is phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine.
What is the SMILES notation for phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine?
The canonical SMILES for phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine is CC(C)c1ncc(C2CCN(C3CC4(CCC4)C3)CC2)cn1.O=CP.
What is the InChIKey of phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine?
The InChIKey is UVGAHXLBLXLWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3.CH3OP/c1-14(2)18-20-12-16(13-21-18)15-4-8-22(9-5-15)17-10-19(11-17)6-3-7-19;2-1-3/h12-15,17H,3-11H2,1-2H3;1H,3H2.
What are the key properties of phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine?
phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine has a molecular weight of 361.47 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine is sourced from PubChem (CID 170613481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).