6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine

C17H22N6 — CID 98894753

IUPAC6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine
SMILESCc1ncc(CN2CCC3(CC(Nc4ncccn4)C3)C2)cn1
InChIInChI=1S/C17H22N6/c1-13-20-9-14(10-21-13)11-23-6-3-17(12-23)7-15(8-17)22-16-18-4-2-5-19-16/h2,4-5,9-10,15H,3,6-8,11-12H2,1H3,(H,18,19,22)
InChIKeyUMIIBBYLJMUZKU-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.04
Rot. Bonds4

About 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine

6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine (PubChem CID 98894753) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound Name6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine
PubChem CID98894753
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine
SMILESCc1ncc(CN2CCC3(CC(Nc4ncccn4)C3)C2)cn1
InChIInChI=1S/C17H22N6/c1-13-20-9-14(10-21-13)11-23-6-3-17(12-23)7-15(8-17)22-16-18-4-2-5-19-16/h2,4-5,9-10,15H,3,6-8,11-12H2,1H3,(H,18,19,22)
InChIKeyUMIIBBYLJMUZKU-UHFFFAOYSA-N
XLogP2.04
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine with MolForge

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Related Compounds

N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine
CID 98894515
N-[6-[(2-methylpyrimidin-5-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyridine-3-carboxamide
CID 98895243
N-[7-[(2-methylpyrimidin-5-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98895376
7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine
CID 98894829
(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone
CID 131644225
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98777995
8-[(3,5-dimethylphenyl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118743774
6-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 135162221
N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine
CID 98894609
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
(3R,5R)-9-[(1-methylpyrazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 98813637
(4R)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98897479

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine?
The IUPAC name of 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine (CID 98894753) is 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine?
The canonical SMILES for 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine is Cc1ncc(CN2CCC3(CC(Nc4ncccn4)C3)C2)cn1.
What is the InChIKey of 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine?
The InChIKey is UMIIBBYLJMUZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-13-20-9-14(10-21-13)11-23-6-3-17(12-23)7-15(8-17)22-16-18-4-2-5-19-16/h2,4-5,9-10,15H,3,6-8,11-12H2,1H3,(H,18,19,22).
What are the key properties of 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine?
6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine has a molecular weight of 310.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 98894753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).