N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide

C11H17N5O2 — CID 12683858

IUPACN-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide
SMILESCC(C)CN1C2=NCCN2C(=O)C(NC=O)=C1N
InChIInChI=1S/C11H17N5O2/c1-7(2)5-16-9(12)8(14-6-17)10(18)15-4-3-13-11(15)16/h6-7H,3-5,12H2,1-2H3,(H,14,17)
InChIKeyIXRBXZYSWMBYJM-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.97
Rot. Bonds4

About N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide

N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide (PubChem CID 12683858) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide.

Molecular Properties

Compound NameN-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide
PubChem CID12683858
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide
SMILESCC(C)CN1C2=NCCN2C(=O)C(NC=O)=C1N
InChIInChI=1S/C11H17N5O2/c1-7(2)5-16-9(12)8(14-6-17)10(18)15-4-3-13-11(15)16/h6-7H,3-5,12H2,1-2H3,(H,14,17)
InChIKeyIXRBXZYSWMBYJM-UHFFFAOYSA-N
XLogP-0.97
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Liberine
CID 46926249
2-Amino-4-hydroxy-6-(isobutylamino)-5-pyrimidinylformamide
CID 135403624
2-amino-9-butyl-7-prop-2-enyl-1H-purine-6,8-dione
CID 135503541
2-Amino-9-hexyl-1,7-dihydropurine-6,8-dione
CID 135415605
2-amino-9-hexyl-7-methyl-1H-purine-6,8-dione
CID 135415606
n-{2-Amino-6-[(3-methylbutyl)amino]-4-oxo-1,4-dihydropyrimidin-5-yl}formamide
CID 135408631
2-amino-9-methyl-7-(3,3,3-trifluoropropyl)-1H-purine-6,8-dione
CID 156435329
2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide
CID 137300524
N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide
CID 135500494
2-Amino-6-methyl-4-oxo-3,6,7,8-tetrahydropteridine-5-carbaldehyde
CID 136302361
4-Amino-5-formylamino-3-isobutyl-1-methylpyrimidine-2,6-dione
CID 4116255
N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)formamide
CID 19023641

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide?
The IUPAC name of N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide (CID 12683858) is N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide.
What is the SMILES notation for N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide?
The canonical SMILES for N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide is CC(C)CN1C2=NCCN2C(=O)C(NC=O)=C1N.
What is the InChIKey of N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide?
The InChIKey is IXRBXZYSWMBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7(2)5-16-9(12)8(14-6-17)10(18)15-4-3-13-11(15)16/h6-7H,3-5,12H2,1-2H3,(H,14,17).
What are the key properties of N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide?
N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide has a molecular weight of 251.29 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-8-(2-methylpropyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]formamide is sourced from PubChem (CID 12683858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).