5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one

C13H20N4O — CID 136989990

IUPAC5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CC2CCC1C2)c1nc[nH]c(=O)c1N
InChIInChI=1S/C13H20N4O/c1-17(12-11(14)13(18)16-7-15-12)6-10-5-8-2-3-9(10)4-8/h7-10H,2-6,14H2,1H3,(H,15,16,18)
InChIKeyKVPREHKQFUBTOR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds3

About 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one

5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136989990) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136989990
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CC2CCC1C2)c1nc[nH]c(=O)c1N
InChIInChI=1S/C13H20N4O/c1-17(12-11(14)13(18)16-7-15-12)6-10-5-8-2-3-9(10)4-8/h7-10H,2-6,14H2,1H3,(H,15,16,18)
InChIKeyKVPREHKQFUBTOR-UHFFFAOYSA-N
XLogP1.22
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one
CID 136633492
5-Amino-3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one
CID 114582770
5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786653
5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867426
5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
CID 136870679
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136955973
4-(2-bicyclo[2.2.1]heptanylmethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956645
4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one
CID 136956647
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957866
5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one
CID 136973685
5-amino-4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-1H-pyrimidin-6-one
CID 136974603
5-amino-4-[(2-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136975038

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one (CID 136989990) is 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one is CN(CC1CC2CCC1C2)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is KVPREHKQFUBTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(12-11(14)13(18)16-7-15-12)6-10-5-8-2-3-9(10)4-8/h7-10H,2-6,14H2,1H3,(H,15,16,18).
What are the key properties of 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).