2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine

C12H21N3 — CID 156523769

IUPAC2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine
SMILESC=C1C=C(C)NC2N(C)CC(C)(C)CN12
InChIInChI=1S/C12H21N3/c1-9-6-10(2)15-8-12(3,4)7-14(5)11(15)13-9/h6,11,13H,2,7-8H2,1,3-5H3
InChIKeyNJTSIQDCQRDMGS-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.56
Rot. Bonds

About 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine

2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine (PubChem CID 156523769) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine
PubChem CID156523769
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine
SMILESC=C1C=C(C)NC2N(C)CC(C)(C)CN12
InChIInChI=1S/C12H21N3/c1-9-6-10(2)15-8-12(3,4)7-14(5)11(15)13-9/h6,11,13H,2,7-8H2,1,3-5H3
InChIKeyNJTSIQDCQRDMGS-UHFFFAOYSA-N
XLogP1.56
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydropyrido[1,2-a]pyrimidine
CID 67149079
2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine
CID 421480
(2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine
CID 89275770
1-(3-Methyl-1,2-dihydropyridin-6-yl)piperazine
CID 134575103
4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
CID 139812379
2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride
CID 172822904
1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine
CID 175868062

Frequently Asked Questions

What is the IUPAC name of 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine (CID 156523769) is 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine is C=C1C=C(C)NC2N(C)CC(C)(C)CN12.
What is the InChIKey of 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine?
The InChIKey is NJTSIQDCQRDMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-6-10(2)15-8-12(3,4)7-14(5)11(15)13-9/h6,11,13H,2,7-8H2,1,3-5H3.
What are the key properties of 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine?
2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine has a molecular weight of 207.32 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7,9-tetramethyl-4-methylidene-1,6,8,9a-tetrahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 156523769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).