methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane

C12H19N4P — CID 171070043

IUPACmethyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane
SMILESCPN1CC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C12H19N4P/c1-17-16-9-12(10-16)3-7-15(8-4-12)11-13-5-2-6-14-11/h2,5-6,17H,3-4,7-10H2,1H3
InChIKeyHWNAAUKYLUMSDQ-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.60
Rot. Bonds2

About methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane

methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane (PubChem CID 171070043) has the molecular formula C12H19N4P and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane.

Molecular Properties

Compound Namemethyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane
PubChem CID171070043
Molecular FormulaC12H19N4P
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Namemethyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane
SMILESCPN1CC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C12H19N4P/c1-17-16-9-12(10-16)3-7-15(8-4-12)11-13-5-2-6-14-11/h2,5-6,17H,3-4,7-10H2,1H3
InChIKeyHWNAAUKYLUMSDQ-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 175822956
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
2-cyclopropylsulfonyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 155902701
2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72849443
(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97484053
(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95713598
2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine
CID 130934211
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560

Frequently Asked Questions

What is the IUPAC name of methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane?
The IUPAC name of methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane (CID 171070043) is methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane.
What is the SMILES notation for methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane?
The canonical SMILES for methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane is CPN1CC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane?
The InChIKey is HWNAAUKYLUMSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N4P/c1-17-16-9-12(10-16)3-7-15(8-4-12)11-13-5-2-6-14-11/h2,5-6,17H,3-4,7-10H2,1H3.
What are the key properties of methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane?
methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane has a molecular weight of 250.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane is sourced from PubChem (CID 171070043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).