N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide

C11H14N6O — CID 133441825

IUPACN-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide
SMILESO=C(CNc1ncnc2nc[nH]c12)NCC1CC1
InChIInChI=1S/C11H14N6O/c18-8(12-3-7-1-2-7)4-13-10-9-11(15-5-14-9)17-6-16-10/h5-7H,1-4H2,(H,12,18)(H2,13,14,15,16,17)
InChIKeyWICHPDTVQOFPRR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.29
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide

N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide (PubChem CID 133441825) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide
PubChem CID133441825
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide
SMILESO=C(CNc1ncnc2nc[nH]c12)NCC1CC1
InChIInChI=1S/C11H14N6O/c18-8(12-3-7-1-2-7)4-13-10-9-11(15-5-14-9)17-6-16-10/h5-7H,1-4H2,(H,12,18)(H2,13,14,15,16,17)
InChIKeyWICHPDTVQOFPRR-UHFFFAOYSA-N
XLogP0.29
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-7H-purin-6-amine
CID 94209024
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
benzyl 3-[(7H-purin-6-ylamino)methyl]pyrrolidine-1-carboxylate
CID 23577264
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
2-[(7H-purin-6-ylamino)methyl]butanoic acid
CID 65226734
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine
CID 133293354
1-[3-(7H-purin-6-ylamino)pyrrolidin-1-yl]propan-1-one
CID 133366498
N-(2,2-dimethoxypropyl)-7H-purin-6-amine
CID 139625079
1-(7H-purin-6-ylamino)cyclohexane-1-carboxylic acid
CID 61290655

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide (CID 133441825) is N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide is O=C(CNc1ncnc2nc[nH]c12)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide?
The InChIKey is WICHPDTVQOFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c18-8(12-3-7-1-2-7)4-13-10-9-11(15-5-14-9)17-6-16-10/h5-7H,1-4H2,(H,12,18)(H2,13,14,15,16,17).
What are the key properties of N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide?
N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(7H-purin-6-ylamino)acetamide is sourced from PubChem (CID 133441825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).