6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine

C14H21N5O2 — CID 114787653

IUPAC6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(OCC2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H21N5O2/c1-2-5-15-14-18-12-11(16-9-17-12)13(19-14)21-8-10-3-6-20-7-4-10/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19)
InChIKeyOAXFDUNOHBHEBL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.98
Rot. Bonds6

About 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine

6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine (PubChem CID 114787653) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
PubChem CID114787653
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(OCC2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H21N5O2/c1-2-5-15-14-18-12-11(16-9-17-12)13(19-14)21-8-10-3-6-20-7-4-10/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19)
InChIKeyOAXFDUNOHBHEBL-UHFFFAOYSA-N
XLogP1.98
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
CID 114787546
6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
CID 106207536
2-chloro-6-(oxan-4-ylmethoxy)-7H-purine
CID 113453025
6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
CID 114786939
5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80880911
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418
4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879481
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine
CID 114785384
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80872217

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine?
The IUPAC name of 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine (CID 114787653) is 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine.
What is the SMILES notation for 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine?
The canonical SMILES for 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine is CCCNc1nc(OCC2CCOCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine?
The InChIKey is OAXFDUNOHBHEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-5-15-14-18-12-11(16-9-17-12)13(19-14)21-8-10-3-6-20-7-4-10/h9-10H,2-8H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine?
6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine has a molecular weight of 291.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine is sourced from PubChem (CID 114787653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).