5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane

C21H45N5O — CID 142198606

IUPAC5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane
SMILESCC.CC.CC(C)C.CCCNC1=C(N)N2CC(C(C)C)N=C2N(C)C1=O
InChIInChI=1S/C13H23N5O.C4H10.2C2H6/c1-5-6-15-10-11(14)18-7-9(8(2)3)16-13(18)17(4)12(10)19;1-4(2)3;2*1-2/h8-9,15H,5-7,14H2,1-4H3;4H,1-3H3;2*1-2H3
InChIKeyAKUMKNDJKOMIQQ-UHFFFAOYSA-N
MW383.63 g/mol
LogP4.00
Rot. Bonds4

About 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane

5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane (PubChem CID 142198606) has the molecular formula C21H45N5O and a molecular weight of 383.63 g/mol. Its IUPAC name is 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane.

Molecular Properties

Compound Name5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane
PubChem CID142198606
Molecular FormulaC21H45N5O
Molecular Weight383.63 g/mol
Exact Mass383.36
IUPAC Name5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane
SMILESCC.CC.CC(C)C.CCCNC1=C(N)N2CC(C(C)C)N=C2N(C)C1=O
InChIInChI=1S/C13H23N5O.C4H10.2C2H6/c1-5-6-15-10-11(14)18-7-9(8(2)3)16-13(18)17(4)12(10)19;1-4(2)3;2*1-2/h8-9,15H,5-7,14H2,1-4H3;4H,1-3H3;2*1-2H3
InChIKeyAKUMKNDJKOMIQQ-UHFFFAOYSA-N
XLogP4.00
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-butyl-6,8-dioxo-1,9-dihydropurin-2-yl)acetamide
CID 153282951
7-Butyl-2-(methylamino)-1,9-dihydropurine-6,8-dione
CID 153368119
N-[7-(cyclopropylmethyl)-6,8-dioxo-1,9-dihydropurin-2-yl]acetamide
CID 156392326
N-[7-(cyclopropylmethyl)-9-methyl-6,8-dioxo-1H-purin-2-yl]acetamide
CID 156435202
N-(6-oxo-7-propyl-8,9-dihydro-1H-purin-2-yl)acetamide
CID 156435924
N-(7-butyl-9-methyl-6,8-dioxo-1H-purin-2-yl)acetamide
CID 156747461
Trimethyl-[1,9,9-trimethyl-1-(2-methylbutyl)-6-oxopurine-1,9-diium-2-yl]azanium
CID 170533516
7-(2-Methylpropyl)-1,9-dihydropurine-6,8-dione
CID 176101538
N-[7-Amino-2,3,5,8-tetrahydro-8-(2-methylpropyl)-5-oxoimidazo[1,2-a]pyrimidin-6-yl]formamide
CID 12683858
(2S,6R)-12-amino-11-(hexylamino)-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-dien-10-one
CID 101233493
5-amino-4-[bis(3-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136918142
5-amino-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974575

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane?
The IUPAC name of 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane (CID 142198606) is 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane.
What is the SMILES notation for 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane?
The canonical SMILES for 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane is CC.CC.CC(C)C.CCCNC1=C(N)N2CC(C(C)C)N=C2N(C)C1=O.
What is the InChIKey of 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane?
The InChIKey is AKUMKNDJKOMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.C4H10.2C2H6/c1-5-6-15-10-11(14)18-7-9(8(2)3)16-13(18)17(4)12(10)19;1-4(2)3;2*1-2/h8-9,15H,5-7,14H2,1-4H3;4H,1-3H3;2*1-2H3.
What are the key properties of 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane?
5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane has a molecular weight of 383.63 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methyl-2-propan-2-yl-6-(propylamino)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethane;2-methylpropane is sourced from PubChem (CID 142198606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).