7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine

C14H21N5 — CID 138601256

IUPAC7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
SMILESCN1C=CN2CCC(C3CC4=NCCCN4C3)N=C12
InChIInChI=1S/C14H21N5/c1-17-7-8-18-6-3-12(16-14(17)18)11-9-13-15-4-2-5-19(13)10-11/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyKEEGKHNYWOPTMQ-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.96
Rot. Bonds1

About 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine

7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine (PubChem CID 138601256) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
PubChem CID138601256
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
SMILESCN1C=CN2CCC(C3CC4=NCCCN4C3)N=C12
InChIInChI=1S/C14H21N5/c1-17-7-8-18-6-3-12(16-14(17)18)11-9-13-15-4-2-5-19(13)10-11/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyKEEGKHNYWOPTMQ-UHFFFAOYSA-N
XLogP0.96
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
CID 172820210
2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
CID 103281677
2,3,4,10-tetrahydropyrimido[1,2-a]azepine
CID 57099276
3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-yl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 176528407
9-methyl-2,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine
CID 172687749
2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol
CID 174244915
acetic acid;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 22623619
11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
CID 137448239
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-5-(4-methyl-3-pyridinyl)-3,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridine
CID 123659213
2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;propanoic acid
CID 66552979
bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride
CID 139181305
2-methyl-5,6-dihydro-4H-pyrimidin-1-amine
CID 142204479

Frequently Asked Questions

What is the IUPAC name of 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine (CID 138601256) is 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine is CN1C=CN2CCC(C3CC4=NCCCN4C3)N=C12.
What is the InChIKey of 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine?
The InChIKey is KEEGKHNYWOPTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-17-7-8-18-6-3-12(16-14(17)18)11-9-13-15-4-2-5-19(13)10-11/h7-8,11-12H,2-6,9-10H2,1H3.
What are the key properties of 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine?
7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine has a molecular weight of 259.36 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-7-yl)-1-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 138601256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).