2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane

C18H29N5 — CID 170613655

IUPAC2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane
SMILESCC(C)c1ncc(N2CCN(C3CC4(C3)CN(C)C4)CC2)cn1
InChIInChI=1S/C18H29N5/c1-14(2)17-19-10-16(11-20-17)23-6-4-22(5-7-23)15-8-18(9-15)12-21(3)13-18/h10-11,14-15H,4-9,12-13H2,1-3H3
InChIKeyWOEVKPRGPDHFSH-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.82
Rot. Bonds3

About 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane

2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane (PubChem CID 170613655) has the molecular formula C18H29N5 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane
PubChem CID170613655
Molecular FormulaC18H29N5
Molecular Weight315.46 g/mol
Exact Mass315.24
IUPAC Name2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane
SMILESCC(C)c1ncc(N2CCN(C3CC4(C3)CN(C)C4)CC2)cn1
InChIInChI=1S/C18H29N5/c1-14(2)17-19-10-16(11-20-17)23-6-4-22(5-7-23)15-8-18(9-15)12-21(3)13-18/h10-11,14-15H,4-9,12-13H2,1-3H3
InChIKeyWOEVKPRGPDHFSH-UHFFFAOYSA-N
XLogP1.82
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;propanal;2-propan-2-yl-5-(4-spiro[3.3]heptan-2-ylpiperazin-1-yl)pyrimidine
CID 166458569
5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol
CID 166459574
5-(azetidin-1-yl)-2-propan-2-ylpyrimidine
CID 170405320
1-[9-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-3-azaspiro[5.5]undecan-3-yl]propan-1-one
CID 166459456
2-methyl-1-[6-[(2S)-2-methyl-4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
CID 170612949
5-piperazin-1-yl-2-propan-2-ylpyrimidine
CID 84674611
2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
CID 168785842
phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
CID 170613481
2-methylpropanal;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
CID 166458947
1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine
CID 178176822
5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086332
1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 166458532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane (CID 170613655) is 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane is CC(C)c1ncc(N2CCN(C3CC4(C3)CN(C)C4)CC2)cn1.
What is the InChIKey of 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane?
The InChIKey is WOEVKPRGPDHFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-14(2)17-19-10-16(11-20-17)23-6-4-22(5-7-23)15-8-18(9-15)12-21(3)13-18/h10-11,14-15H,4-9,12-13H2,1-3H3.
What are the key properties of 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane?
2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane has a molecular weight of 315.46 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170613655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).