1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane

C34H67N5 — CID 157218723

IUPAC1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane
SMILESC.C.C.CC(C)C1CN(C(C)C)CCN1.CC(C)c1cccnc1C(C)C.CC(C)c1cncnc1C(C)C
InChIInChI=1S/C11H17N.C10H16N2.C10H22N2.3CH4/c1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-8(2)10-7-12(9(3)4)6-5-11-10;;;/h5-9H,1-4H3;5-8H,1-4H3;8-11H,5-7H2,1-4H3;3*1H4
InChIKeyASSNSMQWLWONEH-UHFFFAOYSA-N
MW545.95 g/mol
LogP9.28
Rot. Bonds6

About 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane

1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane (PubChem CID 157218723) has the molecular formula C34H67N5 and a molecular weight of 545.95 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane.

Molecular Properties

Compound Name1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane
PubChem CID157218723
Molecular FormulaC34H67N5
Molecular Weight545.95 g/mol
Exact Mass545.54
IUPAC Name1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane
SMILESC.C.C.CC(C)C1CN(C(C)C)CCN1.CC(C)c1cccnc1C(C)C.CC(C)c1cncnc1C(C)C
InChIInChI=1S/C11H17N.C10H16N2.C10H22N2.3CH4/c1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-8(2)10-7-12(9(3)4)6-5-11-10;;;/h5-9H,1-4H3;5-8H,1-4H3;8-11H,5-7H2,1-4H3;3*1H4
InChIKeyASSNSMQWLWONEH-UHFFFAOYSA-N
XLogP9.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.95
LogP ≤ 59.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)
CID 159280113
1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)
CID 162214419
1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine
CID 161335876
2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine
CID 129391744
1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 20794534
3-propan-2-yl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64856484
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
3-propan-2-yl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64858405
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
CID 64953111
1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
CID 64952393
ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane?
The IUPAC name of 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane (CID 157218723) is 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane.
What is the SMILES notation for 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane?
The canonical SMILES for 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane is C.C.C.CC(C)C1CN(C(C)C)CCN1.CC(C)c1cccnc1C(C)C.CC(C)c1cncnc1C(C)C.
What is the InChIKey of 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane?
The InChIKey is ASSNSMQWLWONEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H16N2.C10H22N2.3CH4/c1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-8(2)10-7-12(9(3)4)6-5-11-10;;;/h5-9H,1-4H3;5-8H,1-4H3;8-11H,5-7H2,1-4H3;3*1H4.
What are the key properties of 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane?
1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane has a molecular weight of 545.95 g/mol, XLogP of 9.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane is sourced from PubChem (CID 157218723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).