6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

C11H21N3 — CID 141316067

IUPAC6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC(C)CC1CCNC2=NCCCN21
InChIInChI=1S/C11H21N3/c1-9(2)8-10-4-6-13-11-12-5-3-7-14(10)11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyYJRPCUHCUVOUCK-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.46
Rot. Bonds2

About 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 141316067) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID141316067
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC(C)CC1CCNC2=NCCCN21
InChIInChI=1S/C11H21N3/c1-9(2)8-10-4-6-13-11-12-5-3-7-14(10)11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyYJRPCUHCUVOUCK-UHFFFAOYSA-N
XLogP1.46
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
CID 109474849
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 112078717
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-ethyl-2-(5-methylhexyl)guanidine
CID 112181079
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-methyl-3-(5-methylhexyl)guanidine
CID 112181083
1-(3-Cyclopropylpropyl)-3-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-methylguanidine
CID 112210469
11-Methyl-3-(4-methylpentyl)-2,12,13-triazatricyclo[7.3.1.05,13]tridec-1-ene
CID 71596290
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
N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide
CID 58689256

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 141316067) is 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is CC(C)CC1CCNC2=NCCCN21.
What is the InChIKey of 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is YJRPCUHCUVOUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)8-10-4-6-13-11-12-5-3-7-14(10)11/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 195.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 141316067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).