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

C10H19N3 — CID 91308224

IUPAC3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC(C)C1CN=C2NCCCN2C1
InChIInChI=1S/C10H19N3/c1-8(2)9-6-12-10-11-4-3-5-13(10)7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDJDUPZXCLFQROB-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.92
Rot. Bonds1

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

3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 91308224) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID91308224
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC(C)C1CN=C2NCCCN2C1
InChIInChI=1S/C10H19N3/c1-8(2)9-6-12-10-11-4-3-5-13(10)7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDJDUPZXCLFQROB-UHFFFAOYSA-N
XLogP0.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,7,7-tetraethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine
CID 101417808
1-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium
CID 40432412
2,5,8-trimethyl-4,4a,5,6,7,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine
CID 53890820
N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 59096672
3,3,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-pyrimido[1,2-a]pyrimidine
CID 66729518
6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 67040574
2,4-dimethyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 67533921
2-methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine
CID 101986413
N-ethyl-N-(3-methylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 117758316
N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358430
2,2,3,3,7,7,8,8-octamethyl-6,9-dihydro-4H-pyrimido[1,2-a]pyrimidine
CID 122519804
8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 123820104

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 91308224) is 3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is CC(C)C1CN=C2NCCCN2C1.
What is the InChIKey of 3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is DJDUPZXCLFQROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)9-6-12-10-11-4-3-5-13(10)7-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 181.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 91308224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).