8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane

C16H24N4 — CID 64878339

IUPAC8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESc1cnc(CN2CC3(CCCC3)NCC2C2CC2)nc1
InChIInChI=1S/C16H24N4/c1-2-7-16(6-1)12-20(11-15-17-8-3-9-18-15)14(10-19-16)13-4-5-13/h3,8-9,13-14,19H,1-2,4-7,10-12H2
InChIKeyMMBYJUQEUNMNKU-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.97
Rot. Bonds3

About 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane

8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64878339) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64878339
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESc1cnc(CN2CC3(CCCC3)NCC2C2CC2)nc1
InChIInChI=1S/C16H24N4/c1-2-7-16(6-1)12-20(11-15-17-8-3-9-18-15)14(10-19-16)13-4-5-13/h3,8-9,13-14,19H,1-2,4-7,10-12H2
InChIKeyMMBYJUQEUNMNKU-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877763
8-cyclopropyl-9-[(2-methyltetrazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055892
9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 64877376
3-propyl-4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64878189
3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 82872339
9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 104812533
9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 64875648
8-cyclopropyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016553
4-(cyclobutylmethyl)-3-cyclopropyl-1,4-diazaspiro[5.5]undecane
CID 65461677
2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine
CID 64833734
3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458748
2-[(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)methyl]pyrimidine
CID 64876136

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64878339) is 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane is c1cnc(CN2CC3(CCCC3)NCC2C2CC2)nc1.
What is the InChIKey of 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is MMBYJUQEUNMNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-7-16(6-1)12-20(11-15-17-8-3-9-18-15)14(10-19-16)13-4-5-13/h3,8-9,13-14,19H,1-2,4-7,10-12H2.
What are the key properties of 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 272.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64878339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).