4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one

C13H20N6O2 — CID 125002861

IUPAC4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one
SMILESNCCCC(=O)N1CC[C@]2(Cc3c(N)nc(N)nc3O2)C1
InChIInChI=1S/C13H20N6O2/c14-4-1-2-9(20)19-5-3-13(7-19)6-8-10(15)17-12(16)18-11(8)21-13/h1-7,14H2,(H4,15,16,17,18)/t13-/m0/s1
InChIKeySNJUUZNUPBTSPE-ZDUSSCGKSA-N
MW292.34 g/mol
LogP-0.71
Rot. Bonds3

About 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one

4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one (PubChem CID 125002861) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one
PubChem CID125002861
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one
SMILESNCCCC(=O)N1CC[C@]2(Cc3c(N)nc(N)nc3O2)C1
InChIInChI=1S/C13H20N6O2/c14-4-1-2-9(20)19-5-3-13(7-19)6-8-10(15)17-12(16)18-11(8)21-13/h1-7,14H2,(H4,15,16,17,18)/t13-/m0/s1
InChIKeySNJUUZNUPBTSPE-ZDUSSCGKSA-N
XLogP-0.71
TPSA133.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl)-4-oxobutanoic acid
CID 110144942
N-[6-(2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl)-6-oxohexyl]acetamide
CID 110144974
1-[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]-2-piperidin-4-ylethanone
CID 124999755
2-[2-[(6S)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-carbonyl]phenoxy]acetic acid
CID 124984718
1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone
CID 124944163
2-[2-[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-carbonyl]phenyl]benzoic acid
CID 129457980
2-[(6R)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-carbonyl]benzoic acid
CID 124988864
1-(2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl)-3-(quinazolin-4-ylamino)propan-1-one
CID 110144959
2-[2-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-carbonyl)phenyl]benzoic acid
CID 110076221
N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide
CID 124991911
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724
3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol
CID 124946316

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one?
The IUPAC name of 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one (CID 125002861) is 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one is NCCCC(=O)N1CC[C@]2(Cc3c(N)nc(N)nc3O2)C1.
What is the InChIKey of 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one?
The InChIKey is SNJUUZNUPBTSPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N6O2/c14-4-1-2-9(20)19-5-3-13(7-19)6-8-10(15)17-12(16)18-11(8)21-13/h1-7,14H2,(H4,15,16,17,18)/t13-/m0/s1.
What are the key properties of 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one?
4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one has a molecular weight of 292.34 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-yl]butan-1-one is sourced from PubChem (CID 125002861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).