6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine

C10H13N5O — CID 114786939

IUPAC6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(OCC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O/c1-11-10-14-8-7(12-5-13-8)9(15-10)16-4-6-2-3-6/h5-6H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKeyVNPFNCINZSTXTG-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.18
Rot. Bonds4

About 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine

6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine (PubChem CID 114786939) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
PubChem CID114786939
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(OCC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O/c1-11-10-14-8-7(12-5-13-8)9(15-10)16-4-6-2-3-6/h5-6H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKeyVNPFNCINZSTXTG-UHFFFAOYSA-N
XLogP1.18
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

O-(6)-Methylguanine
CID 65275
NU-2058
CID 4564
6-Ethoxypurine
CID 87338
O6-Substituted Guanine Deriv. 24
CID 5329510
6-Methoxy-9H-purine
CID 70632
[(1S,2Z)-2-[(2-amino-6-propoxy-purin-9-yl)methylene]cyclopropyl]methanol
CID 3006040
O6-Allylguanine
CID 179571
6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine
CID 5329503
O6-Substituted Guanine Deriv. 26
CID 5329511
O6-Substituted Guanine Deriv. 27
CID 5329512
1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol
CID 445940
Purine, 2-amino-6-propoxy-
CID 95802

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine (CID 114786939) is 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine is CNc1nc(OCC2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine?
The InChIKey is VNPFNCINZSTXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-11-10-14-8-7(12-5-13-8)9(15-10)16-4-6-2-3-6/h5-6H,2-4H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine?
6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine has a molecular weight of 219.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 114786939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).