8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

C11H21N3 — CID 123820104

IUPAC8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC1CCN2CCC(C(C)C)N=C2N1
InChIInChI=1S/C11H21N3/c1-8(2)10-5-7-14-6-4-9(3)12-11(14)13-10/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyBYPBYNJYUBTMLE-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.45
Rot. Bonds1

About 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 123820104) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID123820104
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC1CCN2CCC(C(C)C)N=C2N1
InChIInChI=1S/C11H21N3/c1-8(2)10-5-7-14-6-4-9(3)12-11(14)13-10/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyBYPBYNJYUBTMLE-UHFFFAOYSA-N
XLogP1.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine with MolForge

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Related Compounds

N,N'-di(propan-2-yl)piperidine-1-carboximidamide
CID 14423432
1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
CID 101490813
2-Methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473454
2-Methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473455
1-Ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474848
1-Ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474849
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 112099506
N-(piperidin-4-ylmethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 21912596
1,1,2,3-Tetramethyl-3-piperidin-4-ylguanidine
CID 22957260
1-Cyclopropyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 47091792
1-[4-(3,5-Dimethylpiperidin-1-yl)butyl]-2,3-dimethylguanidine
CID 53561283
2,5,8-trimethyl-4,4a,5,6,7,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine
CID 53890820

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 123820104) is 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is CC1CCN2CCC(C(C)C)N=C2N1.
What is the InChIKey of 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is BYPBYNJYUBTMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)10-5-7-14-6-4-9(3)12-11(14)13-10/h8-10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 195.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 123820104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).