7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane

C16H22N6 — CID 97412783

IUPAC7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane
SMILESCn1cncc1CN1CCC2(CC1)CCN2c1ncccn1
InChIInChI=1S/C16H22N6/c1-20-13-17-11-14(20)12-21-8-3-16(4-9-21)5-10-22(16)15-18-6-2-7-19-15/h2,6-7,11,13H,3-5,8-10,12H2,1H3
InChIKeyVPLMAIFNZZNLKI-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.46
Rot. Bonds3

About 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane

7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane (PubChem CID 97412783) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane
PubChem CID97412783
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane
SMILESCn1cncc1CN1CCC2(CC1)CCN2c1ncccn1
InChIInChI=1S/C16H22N6/c1-20-13-17-11-14(20)12-21-8-3-16(4-9-21)5-10-22(16)15-18-6-2-7-19-15/h2,6-7,11,13H,3-5,8-10,12H2,1H3
InChIKeyVPLMAIFNZZNLKI-UHFFFAOYSA-N
XLogP1.46
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane (CID 97412783) is 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane is Cn1cncc1CN1CCC2(CC1)CCN2c1ncccn1.
What is the InChIKey of 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane?
The InChIKey is VPLMAIFNZZNLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-20-13-17-11-14(20)12-21-8-3-16(4-9-21)5-10-22(16)15-18-6-2-7-19-15/h2,6-7,11,13H,3-5,8-10,12H2,1H3.
What are the key properties of 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane?
7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane has a molecular weight of 298.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 97412783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).