2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C14H19N5O2 — CID 80663115

IUPAC2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCc1cc(N)nc(CN2CC(=O)N3CCCCC3C2=O)n1
InChIInChI=1S/C14H19N5O2/c1-9-6-11(15)17-12(16-9)7-18-8-13(20)19-5-3-2-4-10(19)14(18)21/h6,10H,2-5,7-8H2,1H3,(H2,15,16,17)
InChIKeyYEBSQXWEDAPTSF-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.09
Rot. Bonds2

About 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 80663115) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID80663115
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCc1cc(N)nc(CN2CC(=O)N3CCCCC3C2=O)n1
InChIInChI=1S/C14H19N5O2/c1-9-6-11(15)17-12(16-9)7-18-8-13(20)19-5-3-2-4-10(19)14(18)21/h6,10H,2-5,7-8H2,1H3,(H2,15,16,17)
InChIKeyYEBSQXWEDAPTSF-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

6-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4,9,9a-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 135417051
N-cyclopropyl-4-(6-methyl-2-propyl-4-pyrimidinyl)-2-piperazinecarboxamide
CID 56903950
2-[9-(6-Methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undec-2-yl]acetamide
CID 70783821
3-Ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
CID 75379309
N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259589
2-[(5R,6R,9S,13S)-6-butyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-7-yl]-N-(2,6-dimethylpyrimidin-4-yl)acetamide
CID 172455495
2-(4-{[4-(4,6-Dimethyl-2-pyrimidinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)acetamide
CID 70726880
CID 135399550
CID 135399550
1-(4-(4-(Ethylamino)-6-methylpyrimidin-2-yl)piperazin-1-yl)butan-1-one
CID 18566444
Cyclohexyl(4-(4-(ethylamino)-6-methylpyrimidin-2-yl)piperazin-1-yl)methanone
CID 70703148
N~3~-{2-[(2-butyl-6-methyl-4-pyrimidinyl)amino]ethyl}-1,3-piperidinedicarboxamide
CID 70713795
(3S)-4-(2-amino-6-methylpyrimidin-4-yl)-1,3-dimethylpiperazin-2-one
CID 39794145

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 80663115) is 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is Cc1cc(N)nc(CN2CC(=O)N3CCCCC3C2=O)n1.
What is the InChIKey of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is YEBSQXWEDAPTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-6-11(15)17-12(16-9)7-18-8-13(20)19-5-3-2-4-10(19)14(18)21/h6,10H,2-5,7-8H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 289.34 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 80663115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).