1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone

C17H26N6O2 — CID 124944163

IUPAC1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone
SMILESNc1nc(N)c2c(n1)OC1(CCN(C(=O)C[C@@H]3CCCNC3)CC1)C2
InChIInChI=1S/C17H26N6O2/c18-14-12-9-17(25-15(12)22-16(19)21-14)3-6-23(7-4-17)13(24)8-11-2-1-5-20-10-11/h11,20H,1-10H2,(H4,18,19,21,22)/t11-/m0/s1
InChIKeyBHTCHLCKQRWRHZ-NSHDSACASA-N
MW346.44 g/mol
LogP0.33
Rot. Bonds2

About 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone

1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone (PubChem CID 124944163) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone
PubChem CID124944163
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone
SMILESNc1nc(N)c2c(n1)OC1(CCN(C(=O)C[C@@H]3CCCNC3)CC1)C2
InChIInChI=1S/C17H26N6O2/c18-14-12-9-17(25-15(12)22-16(19)21-14)3-6-23(7-4-17)13(24)8-11-2-1-5-20-10-11/h11,20H,1-10H2,(H4,18,19,21,22)/t11-/m0/s1
InChIKeyBHTCHLCKQRWRHZ-NSHDSACASA-N
XLogP0.33
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl)-4-oxobutanoic acid
CID 110144942
1-[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]-2-piperidin-4-ylethanone
CID 124999755
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
1-(1-oxo-1,4-thiazinan-4-yl)-2-piperidin-3-ylethanone
CID 62691071
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylethanone
CID 106835886
1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-[(3S)-piperidin-3-yl]ethanone
CID 118046391
methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
1-(4-ethoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62691409
1-methyl-4-(2-piperidin-3-ylacetyl)piperazin-2-one
CID 64682024
2-cyclobutyl-1-(4-piperidin-3-ylpiperazin-1-yl)ethanone
CID 115277281
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone?
The IUPAC name of 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone (CID 124944163) is 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone.
What is the SMILES notation for 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone?
The canonical SMILES for 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone is Nc1nc(N)c2c(n1)OC1(CCN(C(=O)C[C@@H]3CCCNC3)CC1)C2.
What is the InChIKey of 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone?
The InChIKey is BHTCHLCKQRWRHZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H26N6O2/c18-14-12-9-17(25-15(12)22-16(19)21-14)3-6-23(7-4-17)13(24)8-11-2-1-5-20-10-11/h11,20H,1-10H2,(H4,18,19,21,22)/t11-/m0/s1.
What are the key properties of 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone?
1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone has a molecular weight of 346.44 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-piperidine]-1'-yl)-2-[(3S)-piperidin-3-yl]ethanone is sourced from PubChem (CID 124944163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).