N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine

C9H11N5 — CID 131020883

IUPACN-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
SMILESC[C@@H]1C[C@H]1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H11N5/c1-5-2-6(5)14-9-7-8(11-3-10-7)12-4-13-9/h3-6H,2H2,1H3,(H2,10,11,12,13,14)/t5-,6-/m1/s1
InChIKeyKKVNLONOIVUPAN-PHDIDXHHSA-N
MW189.22 g/mol
LogP1.17
Rot. Bonds2

About N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine

N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine (PubChem CID 131020883) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
PubChem CID131020883
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
SMILESC[C@@H]1C[C@H]1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H11N5/c1-5-2-6(5)14-9-7-8(11-3-10-7)12-4-13-9/h3-6H,2H2,1H3,(H2,10,11,12,13,14)/t5-,6-/m1/s1
InChIKeyKKVNLONOIVUPAN-PHDIDXHHSA-N
XLogP1.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
CID 61233310
2-(7H-purin-6-ylamino)cyclohexane-1-thiol
CID 518195
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine
CID 103863975
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
CID 140997133
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
[(1R,2R,3S,4R)-2,3-dihydroxy-4-(7H-purin-6-ylamino)cyclopentyl]-methylsulfamic acid
CID 90906932
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine
CID 95971222
2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
CID 167769299

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine?
The IUPAC name of N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine (CID 131020883) is N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine is C[C@@H]1C[C@H]1Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine?
The InChIKey is KKVNLONOIVUPAN-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H11N5/c1-5-2-6(5)14-9-7-8(11-3-10-7)12-4-13-9/h3-6H,2H2,1H3,(H2,10,11,12,13,14)/t5-,6-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine?
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine has a molecular weight of 189.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine is sourced from PubChem (CID 131020883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).