3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine

C15H29N3 — CID 101417808

IUPAC3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCC1(CC)CN=C2NCC(CC)(CC)CN2C1
InChIInChI=1S/C15H29N3/c1-5-14(6-2)9-16-13-17-10-15(7-3,8-4)12-18(13)11-14/h5-12H2,1-4H3,(H,16,17)
InChIKeyFAMPOZJHHBFUMZ-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.87
Rot. Bonds4

About 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine

3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 101417808) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID101417808
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCC1(CC)CN=C2NCC(CC)(CC)CN2C1
InChIInChI=1S/C15H29N3/c1-5-14(6-2)9-16-13-17-10-15(7-3,8-4)12-18(13)11-14/h5-12H2,1-4H3,(H,16,17)
InChIKeyFAMPOZJHHBFUMZ-UHFFFAOYSA-N
XLogP2.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide
CID 20592815
N,N',4-trimethylpiperidine-1-carboximidamide
CID 59874915
N',4,4-trimethylpiperidine-1-carboximidamide
CID 62932687
3,3,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine
CID 66729518
3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 91308224
1-(2,2,3,3-Tetramethylbutyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
CID 117694606
1-(3,3-Dimethylbutyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
CID 117694615
2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine
CID 122519804
9-(3,3-Dimethylbutyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium
CID 129040021
3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 129179703
5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine
CID 136646704
1-(3,3-dimethylbutyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-5-ium
CID 140659230

Frequently Asked Questions

What is the IUPAC name of 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine (CID 101417808) is 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine is CCC1(CC)CN=C2NCC(CC)(CC)CN2C1.
What is the InChIKey of 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is FAMPOZJHHBFUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-14(6-2)9-16-13-17-10-15(7-3,8-4)12-18(13)11-14/h5-12H2,1-4H3,(H,16,17).
What are the key properties of 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine?
3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 251.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 101417808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).